Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 17MMY7OK1U
EPA CompTox DTXSID30232110

Structure

InChI Key CSJAXRKDCCWCSJ-UHFFFAOYSA-N
Smiles Cn1ccc(=O)c2c1cccc2
InChI
InChI=1S/C10H9NO/c1-11-7-6-10(12)8-4-2-3-5-9(8)11/h2-7H,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C10H9N1O1
Molecular Weight 159.07
AlogP 1.54
Hydrogen Bond Acceptor 2.0
Polar Surface Area 22.0
Heavy Atoms 12.0

Cross References

Resources Reference
CAS NUMBER 83-54-5
NORMAN SUSDAT
FDA SRS 17MMY7OK1U
PubChem 6748
ChemSpider 6491.0