Molecule

ID:110213

General Information
Structure
MolImage
Molecular Formula
C₄H₆Cl₂O₂
Molecular Mass
156.99524
Exact Mass
155.97448479
Charge
0
InChI
InChI=1S/C4H6Cl2O2/c1-2-8-4(7)3(5)6/h3H,2H2,1H3
InChIKey
IWYBVQLPTCMVFO-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)C(Cl)Cl
Isomeric Smiles
CCOC(=O)C(Cl)Cl
Calculated Properties
JChem
Acid pKa
19.562193
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
1.5608846
LogD (pH = 7.4)
1.5608846
Log P
1.5608846
Molar Refractivity
32.1372
Polarizability
12.754298
Polar Surface Area
26.3
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
Click here to submit data
Molecular Spectra
No Data Available
Click here to submit data
Molecule Details
References
Bioactivity
Navigation