Keyword(s): Human Metabolites
Molecule Category Free-form
UNII TH2PL2FMJ8
EPA CompTox DTXSID20145982

Structure

InChI Key KAWOYOQFRXSZQI-UHFFFAOYSA-N
Smiles Clc1c2CCc3c(Cl)cc(CCc(cc2)c1)cc3
InChI
InChI=1S/C16H14Cl2/c17-15-9-11-1-2-12-4-6-14(16(18)10-12)8-7-13(15)5-3-11/h3-6,9-10H,1-2,7-8H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C16H14Cl2
Molecular Weight 276.05
AlogP 4.88
Heavy Atoms 18.0

Cross References

Resources Reference
CAS NUMBER 10366-05-9
NORMAN SUSDAT
FDA SRS TH2PL2FMJ8
PubChem 11065727
ChemSpider 3520558.0