Keyword(s): Human Metabolites
Molecule Category Free-form
UNII AQF7YV7HTW
EPA CompTox DTXSID0065779

Structure

InChI Key GELVZYOEQVJIRR-UHFFFAOYSA-N
Smiles Clc1cnccn1
InChI
InChI=1S/C4H3ClN2/c5-4-3-6-1-2-7-4/h1-3H

Physicochemical Descriptors

Property Name Value
Molecular Formula C4H3Cl1N2
Molecular Weight 114.0
AlogP 1.13
Hydrogen Bond Acceptor 2.0
Polar Surface Area 25.78
Heavy Atoms 7.0

Cross References

Resources Reference
CAS NUMBER 14508-49-7
NORMAN SUSDAT
FDA SRS AQF7YV7HTW
PubChem 73277
ChemSpider 14959.0