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

Structure

InChI Key UUZUQJOJASRJBK-UHFFFAOYSA-N
Smiles CC(C=C)C(O)c1ccc(Cl)cc1
InChI
InChI=1S/C11H13ClO/c1-3-8(2)11(13)9-4-6-10(12)7-5-9/h3-8,11,13H,1H2,2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C11H13Cl1O1
Molecular Weight 196.07
AlogP 3.2
Hydrogen Bond Acceptor 1.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 3.0
Polar Surface Area 20.23
Heavy Atoms 13.0

Cross References

Resources Reference
CAS NUMBER 123989-31-1
NORMAN SUSDAT
PubChem 11367605
ChemSpider 9542522.0