Keyword(s): Human Metabolites
Molecule Category Free-form

Structure

InChI Key OAJQRQQZKIQFMQ-UHFFFAOYSA-N
Smiles O=CC(=C(Cl)C1=CC=C(Cl)C=C1)CC
InChI
InChI=1/C11H10Cl2O/c1-2-8(7-14)11(13)9-3-5-10(12)6-4-9/h3-7H,2H2,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C11H10Cl2O
Molecular Weight 228.01
AlogP 3.9
Hydrogen Bond Acceptor 1.0
Number of Rotational Bond 3.0
Polar Surface Area 17.07
Heavy Atoms 14.0

Cross References

Resources Reference
CAS NUMBER 83846-61-1
NORMAN SUSDAT
PubChem 3019395