Keyword(s): Human Metabolites
Molecule Category Free-form
UNII DQG8D8B4F6
EPA CompTox DTXSID7060621

Structure

InChI Key AZKDTTQQTKDXLH-UHFFFAOYSA-N
Smiles N#Cc1ccc2ccccc2c1
InChI
InChI=1S/C11H7N/c12-8-9-5-6-10-3-1-2-4-11(10)7-9/h1-7H

Physicochemical Descriptors

Property Name Value
Molecular Formula C11H7N1
Molecular Weight 153.06
AlogP 2.71
Hydrogen Bond Acceptor 1.0
Polar Surface Area 23.79
Heavy Atoms 12.0

Cross References

Resources Reference
CAS NUMBER 613-46-7
NORMAN SUSDAT
FDA SRS DQG8D8B4F6
PubChem 11944
ChemSpider 11450.0