Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 9GF35MK66U
EPA CompTox DTXSID4047464

Structure

InChI Key LNIMMWYNSBZESE-UHFFFAOYSA-N
Smiles CCc1nccnc1C
InChI
InChI=1S/C7H10N2/c1-3-7-6(2)8-4-5-9-7/h4-5H,3H2,1-2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C7H10N2
Molecular Weight 122.08
AlogP 1.35
Hydrogen Bond Acceptor 2.0
Number of Rotational Bond 1.0
Polar Surface Area 25.78
Heavy Atoms 9.0

Cross References

Resources Reference
CAS NUMBER 15707-23-0
NORMAN SUSDAT
FDA SRS 9GF35MK66U
PubChem 27457
ChemSpider 25551.0