Keyword(s): Human Metabolites
Molecule Category Free-form
UNII KF86CC6RTR

Structure

InChI Key WHECQDVQLPVCRX-NSCUHMNNSA-N
Smiles N#CC=CC1=CC=C(C=C1)C
InChI
InChI=1/C10H9N/c1-9-4-6-10(7-5-9)3-2-8-11/h2-7H,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C10H9N
Molecular Weight 143.07
AlogP 2.53
Hydrogen Bond Acceptor 1.0
Number of Rotational Bond 1.0
Polar Surface Area 23.79
Heavy Atoms 11.0

Cross References

Resources Reference
CAS NUMBER 28446-70-0
NORMAN SUSDAT
FDA SRS KF86CC6RTR
PubChem 5463088