Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 6L09RM76RH
EPA CompTox DTXSID0060436

Structure

InChI Key XWKFPIODWVPXLX-UHFFFAOYSA-N
Smiles Cc1cnc(C)cc1
InChI
InChI=1S/C7H9N/c1-6-3-4-7(2)8-5-6/h3-5H,1-2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C7H9N1
Molecular Weight 107.07
AlogP 1.7
Hydrogen Bond Acceptor 1.0
Polar Surface Area 12.89
Heavy Atoms 8.0

Cross References

Resources Reference
CAS NUMBER 589-93-5
NORMAN SUSDAT
FDA SRS 6L09RM76RH
PubChem 11526
ChemSpider 11042.0