Keyword(s): Human Metabolites
Molecule Category Free-form
UNII L7MP2M8WUP
EPA CompTox DTXSID30877126

Structure

InChI Key ZEAUJQWDPKRESH-UHFFFAOYSA-N
Smiles [O-][N+](=CC=1C=CC=CC1)C=2C=CC=CC2
InChI
InChI=1/C13H11NO/c15-14(13-9-5-2-6-10-13)11-12-7-3-1-4-8-12/h1-11H

Physicochemical Descriptors

Property Name Value
Molecular Formula C13H12NO
Molecular Weight 197.08
AlogP 2.95
Hydrogen Bond Acceptor 1.0
Number of Rotational Bond 2.0
Polar Surface Area 26.07
Heavy Atoms 15.0

Cross References

Resources Reference
CAS NUMBER 1137-96-8
NORMAN SUSDAT
FDA SRS L7MP2M8WUP
PubChem 70822