Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 2UPB2W77JR
EPA CompTox DTXSID80997883

Structure

InChI Key GPVPDRHTRGTSIH-UHFFFAOYSA-N
Smiles OC=1C=CC=2C=NC=CC2C1
InChI
InChI=1/C9H7NO/c11-9-2-1-8-6-10-4-3-7(8)5-9/h1-6,11H

Physicochemical Descriptors

Property Name Value
Molecular Formula C9H7NO
Molecular Weight 145.05
AlogP 1.94
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 1.0
Polar Surface Area 33.12
Heavy Atoms 11.0

Cross References

Resources Reference
CAS NUMBER 7651-82-3
NORMAN SUSDAT
FDA SRS 2UPB2W77JR
PubChem 135483582