Keyword(s): Human Metabolites
Molecule Category Free-form
UNII GG3RF829XL
EPA CompTox DTXSID60194914

Structure

InChI Key JFLSOKIMYBSASW-UHFFFAOYSA-N
Smiles Clc1ccccc1C(Cl)(c1ccccc1)c1ccccc1
InChI
InChI=1S/C19H14Cl2/c20-18-14-8-7-13-17(18)19(21,15-9-3-1-4-10-15)16-11-5-2-6-12-16/h1-14H

Physicochemical Descriptors

Property Name Value
Molecular Formula C19H14Cl2
Molecular Weight 312.05
AlogP 5.87
Number of Rotational Bond 3.0
Heavy Atoms 21.0

Cross References

Resources Reference
CAS NUMBER 42074-68-0
NORMAN SUSDAT
FDA SRS GG3RF829XL
PubChem 94524
ChemSpider 85300.0