Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 1M13HUC1P4
EPA CompTox DTXSID3052309

Structure

InChI Key PWRBCZZQRRPXAB-UHFFFAOYSA-N
Smiles Clc1cccnc1
InChI
InChI=1S/C5H4ClN/c6-5-2-1-3-7-4-5/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 626-60-8
NORMAN SUSDAT
FDA SRS 1M13HUC1P4
PubChem 12287
ChemSpider 11784.0