Keyword(s): Human Metabolites
Molecule Category Salt-form
EPA CompTox DTXSID70186345

Structure

InChI Key WFNASTYGEKUMIY-UHFFFAOYSA-N
Smiles Cl.OCC=1N=CNC1
InChI
InChI=1/C4H6N2O.ClH/c7-2-4-1-5-3-6-4;/h1,3,7H,2H2,(H,5,6);1H

Physicochemical Descriptors

Property Name Value
Molecular Formula C4H6N2O
Molecular Weight 134.02
AlogP 0.32
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 1.0
Polar Surface Area 48.91
Heavy Atoms 8.0

Cross References

Resources Reference
CAS NUMBER 32673-41-9
NORMAN SUSDAT
PubChem 1745