Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 64N10FV9M3
EPA CompTox DTXSID901002600

Structure

InChI Key GXPWNYXJJDQHBO-UHFFFAOYSA-N
Smiles ClC1=CC2=C(OC3=C(Cl)C=CC=C3O2)C=C1Cl
InChI
InChI=1S/C12H5Cl3O2/c13-6-2-1-3-9-12(6)17-11-5-8(15)7(14)4-10(11)16-9/h1-5H

Physicochemical Descriptors

Property Name Value
Molecular Formula C12H5Cl3O2
Molecular Weight 285.94
AlogP 5.54
Hydrogen Bond Acceptor 2.0
Polar Surface Area 18.46
Heavy Atoms 17.0

Cross References

Resources Reference
CAS NUMBER 82306-65-8
NORMAN SUSDAT
FDA SRS 64N10FV9M3