Keyword(s): Human Metabolites
Molecule Category Free-form
UNII P695727OP2
EPA CompTox DTXSID40865913

Structure

InChI Key SYSBNFJJSJLZMM-UHFFFAOYSA-N
Smiles Clc1ccc(cc1)-c1cc(Cl)cc(Cl)c1
InChI
InChI=1S/C12H7Cl3/c13-10-3-1-8(2-4-10)9-5-11(14)7-12(15)6-9/h1-7H

Physicochemical Descriptors

Property Name Value
Molecular Formula C12H7Cl3
Molecular Weight 255.96
AlogP 5.31
Number of Rotational Bond 1.0
Heavy Atoms 15.0

Cross References

Resources Reference
CAS NUMBER 38444-88-1
NORMAN SUSDAT
FDA SRS P695727OP2
PubChem 38038
ChemSpider 34872.0