Molecule

ID:136031

General Information
Structure
MolImage
Molecular Formula
C₃H₄Cl₂O₂
Molecular Mass
143.96131484
Exact Mass
142.96218957
Charge
0
InChI
InChI=1S/C3H4Cl2O2/c1-7-3(6)2(4)5/h2H,1H3/i3+1
InChIKey
HKMLRUAPIDAGIE-LBPDFUHNSA-N
Canonic Smiles
CO[13C](=O)C(Cl)Cl
Isomeric Smiles
CO[13C](=O)C(Cl)Cl
Calculated Properties
JChem
Acid pKa
19.562387
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
1.2040766
LogD (pH = 7.4)
1.2040766
Log P
1.2040766
Molar Refractivity
27.3886
Polarizability
10.965886
Polar Surface Area
26.3
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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