Keyword(s): Human Metabolites
Molecule Category Free-form
UNII V6R4PDB5HV
EPA CompTox DTXSID10210193

Structure

InChI Key HVZWBVZEZZJOKQ-UHFFFAOYSA-N
Smiles Cc1cc2cc3ccccc3nc2cc1
InChI
InChI=1S/C14H11N/c1-10-6-7-14-12(8-10)9-11-4-2-3-5-13(11)15-14/h2-9H,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C14H11N1
Molecular Weight 193.09
AlogP 3.7
Hydrogen Bond Acceptor 1.0
Polar Surface Area 12.89
Heavy Atoms 15.0

Cross References

Resources Reference
CAS NUMBER 613-15-0
NORMAN SUSDAT
FDA SRS V6R4PDB5HV
PubChem 11938
ChemSpider 11444.0