Keyword(s): Human Metabolites
Molecule Category Free-form
UNII C8NZH84CBM
EPA CompTox DTXSID3058951

Structure

InChI Key FSBRKZMSECKELY-UHFFFAOYSA-N
Smiles Nc1c2ccc(O)cc2ccc1
InChI
InChI=1S/C10H9NO/c11-10-3-1-2-7-6-8(12)4-5-9(7)10/h1-6,12H,11H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C10H9N1O1
Molecular Weight 159.07
AlogP 2.13
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 2.0
Polar Surface Area 46.25
Heavy Atoms 12.0

Cross References

Resources Reference
CAS NUMBER 86-97-5
NORMAN SUSDAT
FDA SRS C8NZH84CBM
PubChem 6865
ChemSpider 6603.0