Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 7J9L7YYO3E
EPA CompTox DTXSID2051558

Structure

InChI Key LVNDUJYMLJDECN-UHFFFAOYSA-N
Smiles Cc1cc(N)cc(N)c1
InChI
InChI=1S/C7H10N2/c1-5-2-6(8)4-7(9)3-5/h2-4H,8-9H2,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C7H10N2
Molecular Weight 122.08
AlogP 1.16
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 2.0
Polar Surface Area 52.04
Heavy Atoms 9.0

Cross References

Resources Reference
CAS NUMBER 108-71-4
NORMAN SUSDAT
FDA SRS 7J9L7YYO3E
PubChem 7951
ChemSpider 7663.0