Keyword(s): Human Metabolites
Molecule Category Salt-form
UNII C847SY191W
EPA CompTox DTXSID5070365

Structure

InChI Key KFKLSCXTXRXTCC-UHFFFAOYSA-N
Smiles Cl.OC=1C(N)=CC(N)=CC1C
InChI
InChI=1/C7H10N2O.ClH/c1-4-2-5(8)3-6(9)7(4)10;/h2-3,10H,8-9H2,1H3;1H

Physicochemical Descriptors

Property Name Value
Molecular Formula C7H10N2O
Molecular Weight 174.06
AlogP 1.29
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 3.0
Polar Surface Area 72.27
Heavy Atoms 11.0

Cross References

Resources Reference
CAS NUMBER 81028-94-6
NORMAN SUSDAT
FDA SRS C847SY191W
PubChem 27520