Molecule

ID:109418

General Information
Structure
MolImage
Molecular Formula
C₄H₆Cl₂O₂
Molecular Mass
156.99524
Exact Mass
155.97448479
Charge
0
InChI
InChI=1S/C4H6Cl2O2/c1-4(6,2-5)3(7)8/h2H2,1H3,(H,7,8)
InChIKey
LRGIIZXVSULULZ-UHFFFAOYSA-N
Canonic Smiles
CC(C(=O)O)(CCl)Cl
Isomeric Smiles
CC(Cl)(CCl)C(=O)O
Calculated Properties
JChem
Acid pKa
3.2740462
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.584246
LogD (pH = 7.4)
-1.8082595
Log P
1.6232101
Molar Refractivity
31.1988
Polarizability
12.52094
Polar Surface Area
37.3
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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