Keyword(s): Human Metabolites
Molecule Category Free-form
UNII M153CJ9RA0
EPA CompTox DTXSID4047678

Structure

InChI Key XCZPDOCRSYZOBI-UHFFFAOYSA-N
Smiles C1CCc2c(C1)nccn2
InChI
InChI=1S/C8H10N2/c1-2-4-8-7(3-1)9-5-6-10-8/h5-6H,1-4H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C8H10N2
Molecular Weight 134.08
AlogP 1.36
Hydrogen Bond Acceptor 2.0
Polar Surface Area 25.78
Heavy Atoms 10.0

Cross References

Resources Reference
CAS NUMBER 34413-35-9
NORMAN SUSDAT
FDA SRS M153CJ9RA0
PubChem 36822
ChemSpider 33794.0