Keyword(s): Human Metabolites
Molecule Category Free-form
UNII JL423H9DYE
EPA CompTox DTXSID50179891

Structure

InChI Key HZGMFVCYHFDNGW-UHFFFAOYSA-N
Smiles N#CC1=CC=C2C=3C=CC=CC3CC2=C1
InChI
InChI=1/C14H9N/c15-9-10-5-6-14-12(7-10)8-11-3-1-2-4-13(11)14/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 2523-48-0
NORMAN SUSDAT
FDA SRS JL423H9DYE
PubChem 17302