Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID10171573

Structure

InChI Key BKCIQPUIDHPJSI-UHFFFAOYSA-N
Smiles Cc1cnc(C)c(C)c1C
InChI
InChI=1S/C9H13N/c1-6-5-10-9(4)8(3)7(6)2/h5H,1-4H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C9H13N1
Molecular Weight 135.1
AlogP 2.32
Hydrogen Bond Acceptor 1.0
Polar Surface Area 12.89
Heavy Atoms 10.0

Cross References

Resources Reference
CAS NUMBER 18441-60-6
NORMAN SUSDAT
PubChem 87644
ChemSpider 79069.0