Keyword(s): Human Metabolites
Molecule Category Free-form
UNII AV6NM693EG
EPA CompTox DTXSID80171020

Structure

InChI Key QEQFTTCZLHLKFX-UHFFFAOYSA-N
Smiles ClC(=C(c1ccccc1)c1ccccc1)c1ccccc1
InChI
InChI=1S/C20H15Cl/c21-20(18-14-8-3-9-15-18)19(16-10-4-1-5-11-16)17-12-6-2-7-13-17/h1-15H

Physicochemical Descriptors

Property Name Value
Molecular Formula C20H15Cl1
Molecular Weight 290.09
AlogP 5.84
Number of Rotational Bond 3.0
Heavy Atoms 21.0

Cross References

Resources Reference
CAS NUMBER 18084-97-4
NORMAN SUSDAT
FDA SRS AV6NM693EG
PubChem 87450
ChemSpider 78712.0