Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 94EZW2WL9E
EPA CompTox DTXSID70169214

Structure

InChI Key UNCQVRBWJWWJBF-UHFFFAOYSA-N
Smiles Clc1ncccn1
InChI
InChI=1S/C4H3ClN2/c5-4-6-2-1-3-7-4/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 1722-12-9
NORMAN SUSDAT
FDA SRS 94EZW2WL9E
PubChem 74404
ChemSpider 66996.0