Keyword(s): Human Metabolites
Molecule Category Free-form
UNII M1O131WXFO

Structure

InChI Key PMZDQRJGMBOQBF-UHFFFAOYSA-N
Smiles O=c1cc[nH]c2c1cccc2
InChI
InChI=1S/C9H7NO/c11-9-5-6-10-8-4-2-1-3-7(8)9/h1-6H,(H,10,11)

Physicochemical Descriptors

Property Name Value
Molecular Formula C9H7N1O1
Molecular Weight 145.05
AlogP 1.53
Hydrogen Bond Acceptor 1.0
Hydrogen Bond Donor 1.0
Polar Surface Area 32.86
Heavy Atoms 11.0

Cross References

Resources Reference
CAS NUMBER 529-37-3
NORMAN SUSDAT
FDA SRS M1O131WXFO
PubChem 69141
ChemSpider 61403.0