Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID0052671

Structure

InChI Key PVMNPAUTCMBOMO-UHFFFAOYSA-N
Smiles Clc1ccncc1
InChI
InChI=1S/C5H4ClN/c6-5-1-3-7-4-2-5/h1-4H

Physicochemical Descriptors

Property Name Value
Molecular Formula C5H4Cl1N1
Molecular Weight 113.0
AlogP 1.74
Hydrogen Bond Acceptor 1.0
Polar Surface Area 12.89
Heavy Atoms 7.0

Cross References

Resources Reference
CAS NUMBER 626-61-9
NORMAN SUSDAT
PubChem 12288
ChemSpider 32076446.0