Molecule
ID:84898
General Information
Molecular Formula
C₄H₄Cl₂O₂
Molecular Mass
154.97936
Exact Mass
153.95883473
Charge
0
InChI
InChI=1S/C4H4Cl2O2/c5-4(6)1-2(4)3(7)8/h2H,1H2,(H,7,8)
InChIKey
GVGFEJPTKINGLP-UHFFFAOYSA-N
Canonic Smiles
OC(=O)C1CC1(Cl)Cl
Isomeric Smiles
ClC1(C(C1)C(=O)O)Cl
Calculated Properties
JChem
Acid pKa
3.2028143
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.9798789
LogD (pH = 7.4)
-2.1501765
Log P
1.29477
Molar Refractivity
30.2113
Polarizability
11.8502
Polar Surface Area
37.3
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
No Data Available
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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