Keyword(s): Human Metabolites
Molecule Category Free-form
UNII J2E8HV5A42
EPA CompTox DTXSID101015401

Structure

InChI Key GTMWGXABXQTZRJ-UHFFFAOYSA-N
Smiles N#CC1=CCCCC1
InChI
InChI=1/C7H9N/c8-6-7-4-2-1-3-5-7/h4H,1-3,5H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C7H9N
Molecular Weight 107.07
AlogP 2.01
Hydrogen Bond Acceptor 1.0
Polar Surface Area 23.79
Heavy Atoms 8.0

Cross References

Resources Reference
CAS NUMBER 1855-63-6
NORMAN SUSDAT
FDA SRS J2E8HV5A42
PubChem 74619