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

Structure

InChI Key UOMHBFAJZRZNQD-UHFFFAOYSA-N
Smiles C1=CC=C2C(=C1)N=C3C=CC(=O)C=C3O2
InChI
InChI=1S/C12H7NO2/c14-8-5-6-10-12(7-8)15-11-4-2-1-3-9(11)13-10/h1-7H

Physicochemical Descriptors

Property Name Value
Molecular Formula C12H7N1O2
Molecular Weight 197.05
AlogP 2.29
Hydrogen Bond Acceptor 3.0
Polar Surface Area 43.1
Heavy Atoms 15.0

Cross References

Resources Reference
CAS NUMBER 1916-63-8
NORMAN SUSDAT