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

Structure

InChI Key CMGMFRSFFLRXSR-UHFFFAOYSA-N
Smiles CC(Cl)C(=O)C(C)(Cl)CO
InChI
InChI=1S/C6H10Cl2O2/c1-4(7)5(10)6(2,8)3-9/h4,9H,3H2,1-2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C6H10Cl2O2
Molecular Weight 184.01
AlogP 1.17
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 3.0
Polar Surface Area 37.3
Heavy Atoms 10.0

Cross References

Resources Reference
NORMAN SUSDAT