Keyword(s): Human Metabolites
Molecule Category Free-form
UNII QJ69FHE7Y3
EPA CompTox DTXSID1062259

Structure

InChI Key VNHGETRQQSYUGZ-UHFFFAOYSA-N
Smiles O=N(=O)c1ccccc1Oc1ccccc1
InChI
InChI=1S/C12H9NO3/c14-13(15)11-8-4-5-9-12(11)16-10-6-2-1-3-7-10/h1-9H

Physicochemical Descriptors

Property Name Value
Molecular Formula C12H9N1O3
Molecular Weight 215.06
AlogP 3.39
Hydrogen Bond Acceptor 3.0
Number of Rotational Bond 3.0
Polar Surface Area 52.37
Heavy Atoms 16.0

Cross References

Resources Reference
CAS NUMBER 2216-12-8
NORMAN SUSDAT
FDA SRS QJ69FHE7Y3
PubChem 16661
ChemSpider 15798.0