Brightway Flows 1.0
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5-nitroquinoline

fo-f71e288346152085

Identity

Type
Neutral molecule
CAS
607-34-1
EC
210-134-3
Origin
EF 3.1 hybrid_name_cas_v1
Changes
55 across every transformer

Structure

Structure diagram for 5-nitroquinoline

Alternative labels

2

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string NDDZXHOCOKCNBM-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C9H6N2O2/c12-11(13)9-5-1-4-8-7(9)3-2-6-10-8/h1-6H
IUPAC name chemrof:IUPAC_name 5-nitroquinoline
Molecular formula chemrof:molecular_formula C9H6N2O2
Molecular mass chemrof:molecular_mass 174.159
Monoisotopic mass chemrof:monoisotopic_mass 174.042927
SMILES string chemrof:smiles_string O=[N+]([O-])c1cccc2ncccc12

Known URLs

10

Where else this substance is described. Collected while the pipeline resolved it — from ChEBI's cross-references, from PubChem's identifier list, and from the CAS number — so a link here is a record the merge actually read, not a search it suggests.

Resource URL Recorded by
CAS Common Chemistry https://commonchemistry.cas.org/detail?cas_rn=607-34-1 enrich_references.pubchem_identifier_url
chem.echa.europa.eu https://chem.echa.europa.eu/100.009.214 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID8075255 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=65583 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL164449 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/XHP5J23AZ5 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J2.986F enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/11829 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/substance/?source=niaid&sourceid=020683 enrich_references.pubchem_identifier_url
Wikidata https://www.wikidata.org/wiki/Q238548 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
3603584f-bc83-4af8-bac4-a9e245e2f07e Environmental → Air → Aircraft cruise height EF 3.1 kg 2
7045f23a-0e2a-4fb9-b313-cfa876fef9d2 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
8d9c078b-13a7-4c4b-a797-4977dd5de83b Environmental → Air → Indoor EF 3.1 kg 2
c919f880-de10-4f37-b263-0520e7d2c4d9 Environmental → Air → Long-term EF 3.1 kg 0
ba7047ab-9b64-4852-8149-b406d3573181 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
15cf569b-dda7-41ea-8222-6b456cac5075 Environmental → Air → Unknown EF 3.1 kg 2
c16d4cff-f939-4923-be0a-df45a2dc221c Environmental → Ground → Agricultural EF 3.1 kg 2
9fbfae6c-d83b-4a6f-8476-4bdeca9f19a7 Environmental → Ground → Non-agricultural EF 3.1 kg 2
17996a7f-3112-41b3-b663-dcf171311f9e Environmental → Ground → Unknown EF 3.1 kg 2
50cf1f5c-6415-4309-96bd-73444b3ca11e Environmental → Water → Long-term EF 3.1 kg 0
de2340c6-e1a9-4fe1-b684-e49e8d11f070 Environmental → Water → Ocean EF 3.1 kg 2
c05c40d4-70c3-4ab1-baf6-e3da52bb8bb7 Environmental → Water → Surface water EF 3.1 kg 2
edd746b6-3dd0-45c7-9806-e2d126f9a5a4 Environmental → Water → Unknown EF 3.1 kg 2

History

Everything that changed this substance (55 changes)

Open the changes page

Full record

Flow object JSON 
{
  "flow_object_id": "fo-f71e288346152085",
  "prefLabel": [
    {
      "@value": "5-nitroquinoline",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "bootstrap_labels",
        "prov:wasAttributedTo": "brightway-flows",
        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "legacy name field"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "5-(Hydroxyl[oxido]amino)quinoline",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "brightway-flows",
        "prov:hadPrimarySource": [
          "CAS:607-34-1",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=607-34-1"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Quinoline, 5-nitro-",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "brightway-flows",
        "prov:hadPrimarySource": [
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          "https://commonchemistry.cas.org/detail?cas_rn=607-34-1"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    }
  ],
  "properties": {
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        "C9H6N2O2"
      ],
      "attested_by": {
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          "enrich_references.pubchem_semantic",
          "rdkit_post_consensus"
        ]
      },
      "rdfs:label": "Molecular formula",
      "provenance": [
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          "prov:hadPrimarySource": [
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          "prov:wasDerivedFrom": "pubchem.props.Molecular Formula"
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "brightway-flows",
          "prov:hadPrimarySource": [
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          ]
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    },
    "https://w3id.org/chemrof/inchi2d_key_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_key_string",
      "@value": [
        "NDDZXHOCOKCNBM-UHFFFAOYSA-N"
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    },
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    },
    "https://w3id.org/chemrof/inchi2d_string": {
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      "provenance": [
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      ],
      "attested_by": {
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      }
    },
    "https://w3id.org/chemrof/IUPAC_name": {
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      "rdfs:label": "IUPAC name",
      "@value": [
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      ],
      "provenance": {
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        "prov:hadPrimarySource": [
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      },
      "attested_by": {
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        ]
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    },
    "https://w3id.org/chemrof/molecular_mass": {
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      "rdfs:label": "Molecular mass",
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      ],
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          "prov:hadPrimarySource": [
            "C1=CC2=C(C=CC=N2)C(=C1)[N+](=O)[O-]"
          ]
        },
        {
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          "prov:wasAttributedTo": "brightway-flows",
          "prov:hadPrimarySource": [
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          ]
        }
      ],
      "attested_by": {
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        ]
      },
      "http://qudt.org/schema/qudt/hasUnit": "https://vocab.brightway.one/units/unit/GM-PER-MOL"
    },
    "https://w3id.org/chemrof/monoisotopic_mass": {
      "@id": "https://w3id.org/chemrof/monoisotopic_mass",
      "rdfs:label": "Monoisotopic mass",
      "@value": [
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      ],
      "provenance": [
        {
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            "C1=CC2=C(C=CC=N2)C(=C1)[N+](=O)[O-]"
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        },
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          "prov:wasAttributedTo": "brightway-flows",
          "prov:hadPrimarySource": [
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          ]
        }
      ],
      "attested_by": {
        "174.042927": [
          "rdkit_post_consensus",
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        ]
      },
      "http://qudt.org/schema/qudt/hasUnit": "https://vocab.brightway.one/units/unit/GM-PER-MOL"
    }
  },
  "references": [
    {
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        ],
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  ],
  "created_from": {
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    "seed_uuid": "15cf569b-dda7-41ea-8222-6b456cac5075",
    "seed_source": "EF 3.1",
    "semantic_typing": {
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      "reason": "",
      "types": [
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  "classifications": {
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  "origin_qualifier": null,
  "parent_flow_object_id": null,
  "parent_intervention_id": null,
  "@type": [
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  ]
}

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