Keyword(s): Human Metabolites
Molecule Category Free-form

Structure

InChI Key WGOQTNXYTDSHRT-UHFFFAOYSA-N
Smiles N#CC1=CC=CC=2C=3C=CC=CC3CC12
InChI
InChI=1/C14H9N/c15-9-11-5-3-7-13-12-6-2-1-4-10(12)8-14(11)13/h1-7H,8H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C14H9N
Molecular Weight 191.07
AlogP 3.13
Hydrogen Bond Acceptor 1.0
Polar Surface Area 23.79
Heavy Atoms 15.0

Cross References

Resources Reference
CAS NUMBER 94248-40-5
NORMAN SUSDAT
PubChem 3024140