Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID50194802

Structure

InChI Key NLDDLJBGRZJASZ-UHFFFAOYSA-N
Smiles Cc1cc(C)c(N)nc1
InChI
InChI=1S/C7H10N2/c1-5-3-6(2)7(8)9-4-5/h3-4H,1-2H3,(H2,8,9)

Physicochemical Descriptors

Property Name Value
Molecular Formula C7H10N2
Molecular Weight 122.08
AlogP 1.28
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 1.0
Polar Surface Area 38.91
Heavy Atoms 9.0

Cross References

Resources Reference
CAS NUMBER 41995-30-6
NORMAN SUSDAT
PubChem 3016310
ChemSpider 2284274.0