Keyword(s): Human Metabolites
Molecule Category Free-form
UNII AP2V89J1DA
EPA CompTox DTXSID6021030

Structure

InChI Key UBUCNCOMADRQHX-UHFFFAOYSA-N
Smiles O=NN(c1ccccc1)c2ccccc2
InChI
InChI=1S/C12H10N2O/c15-13-14(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H

Physicochemical Descriptors

Property Name Value
Molecular Formula C12H10N2O1
Molecular Weight 198.08
AlogP 3.51
Hydrogen Bond Acceptor 2.0
Number of Rotational Bond 3.0
Polar Surface Area 32.67
Heavy Atoms 15.0

Cross References

Resources Reference
CAS NUMBER 86-30-6
NORMAN SUSDAT
FDA SRS AP2V89J1DA
PubChem 6838
ChemSpider 6577.0