Keyword(s): Human Metabolites
Molecule Category Free-form
UNII P3P78L5UT9
EPA CompTox DTXSID50236175

Structure

InChI Key NYDGOZPYEABERA-UHFFFAOYSA-N
Smiles Cn1cncc1Cl
InChI
InChI=1S/C4H5ClN2/c1-7-3-6-2-4(7)5/h2-3H,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C4H5Cl1N2
Molecular Weight 116.01
AlogP 1.07
Hydrogen Bond Acceptor 2.0
Polar Surface Area 17.82
Heavy Atoms 7.0

Cross References

Resources Reference
CAS NUMBER 872-49-1
NORMAN SUSDAT
FDA SRS P3P78L5UT9
PubChem 70105
ChemSpider 63293.0