Keyword(s): Human Metabolites
Molecule Category Free-form
UNII EY25KS4R7X
EPA CompTox DTXSID00215950

Structure

InChI Key PUJSUOGJGIECFQ-UHFFFAOYSA-N
Smiles Clc1cc(cc(Cl)c1)C#N
InChI
InChI=1S/C7H3Cl2N/c8-6-1-5(4-10)2-7(9)3-6/h1-3H

Physicochemical Descriptors

Property Name Value
Molecular Formula C7H3Cl2N1
Molecular Weight 170.96
AlogP 2.87
Hydrogen Bond Acceptor 1.0
Polar Surface Area 23.79
Heavy Atoms 10.0

Cross References

Resources Reference
CAS NUMBER 6575-00-4
NORMAN SUSDAT
FDA SRS EY25KS4R7X
PubChem 81052
ChemSpider 73125.0