Consensus flow list

Identity

Type
Neutral molecule
CAS
3335-98-6
EC
441-020-3
Origin
EF 3.1 hybrid_name_cas_v1
Changes
55 across every transformer

Structure

Structure diagram for N-phenylindolin-2-one

Alternative labels

12

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string OWPNVXATCSXTBK-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C14H11NO/c16-14-10-11-6-4-5-9-13(11)15(14)12-7-2-1-3-8-12/h1-9H,10H2
IUPAC name chemrof:IUPAC_name N-phenylindolin-2-one
Molecular formula chemrof:molecular_formula C14H11NO
Molecular mass chemrof:molecular_mass 209.248
Monoisotopic mass chemrof:monoisotopic_mass 209.084064
SMILES string chemrof:smiles_string O=C1Cc2ccccc2N1c1ccccc1

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=3335-98-6 enrich_references.pubchem_identifier_url
chem.echa.europa.eu https://chem.echa.europa.eu/100.103.728 enrich_references.pubchem_identifier_url
chem.echa.europa.eu https://chem.echa.europa.eu/100.110.344 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID50310944 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=234518 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL1305587 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/2FQG528CES enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J620.555K enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/314787 enrich_references.pubchem_compound
wikidata.org https://www.wikidata.org/wiki/Q72498064 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
25ed1130-ec3d-4572-b174-33342d04c223 Environmental → Air → Aircraft cruise height EF 3.1 kg 4
2e9bb39f-f25e-4597-ac71-8cf284881019 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
fefff1dd-670b-49cf-81f9-2c35086b269e Environmental → Air → Indoor EF 3.1 kg 4
a69b5914-f2ed-42f8-9285-7f4928fed6c1 Environmental → Air → Long-term EF 3.1 kg 0
6e43934a-0f80-4719-8383-403e5e935e8f Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
f46f7241-e8d4-4bd9-9f5d-0699e1c5fed6 Environmental → Air → Unknown EF 3.1 kg 4
670f859f-89f0-400f-83c2-9e27ce3781dc Environmental → Ground → Agricultural EF 3.1 kg 4
298ff413-356d-404f-a465-0f2ebc2bf33e Environmental → Ground → Non-agricultural EF 3.1 kg 4
dce8e430-c7dc-48f2-b241-ea58901fbcc9 Environmental → Ground → Unknown EF 3.1 kg 4
83ec2eb9-b9d8-4b36-ae69-6a2cbc15f0e1 Environmental → Water → Long-term EF 3.1 kg 0
f82f8243-5ad4-43ef-9b10-7196f1f1be44 Environmental → Water → Ocean EF 3.1 kg 4
7f148c8a-1ea4-42cf-85a1-52304c26b8ef Environmental → Water → Surface water EF 3.1 kg 4
5e8d2b31-b944-4b7f-84b2-2a0b08578e23 Environmental → Water → Unknown EF 3.1 kg 4

History

Everything that changed this substance (55 changes)

Open the changes page

Full record

Flow object JSON
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    "http://semanticscience.org/resource/CHEMINF_000447": {
      "@value": [
        "441-020-3"
      ],
      "rdfs:seeAlso": [
        "https://echa.europa.eu/search-for-chemicals?query=441-020-3"
      ],
      "provenance": {
        "prov:wasGeneratedBy": "hybrid_name_cas_v1",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "ec_numbers"
      }
    }
  },
  "origin_qualifier": null,
  "parent_flow_object_id": null,
  "parent_intervention_id": null,
  "@type": [
    "https://w3id.org/chemrof/NeutralMolecule"
  ]
}

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