Molecule

ID:91682

General Information
Structure
Molecular Formula
C₄H₂Cl₄O₃
Molecular Mass
239.86888
Exact Mass
237.87580464
Charge
0
InChI
InChI=1S/C4H2Cl4O3/c5-1(6)3(9)11-4(10)2(7)8/h1-2H
InChIKey
RQHMQURGSQBBJY-UHFFFAOYSA-N
Canonic Smiles
ClC(C(=O)OC(=O)C(Cl)Cl)Cl
Isomeric Smiles
ClC(Cl)C(=O)OC(=O)C(Cl)Cl
Calculated Properties
JChem
Acid pKa
18.252516
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.4838705
LogD (pH = 7.4)
2.4838705
Log P
2.2505372
Molar Refractivity
42.0336
Polarizability
16.913021
Polar Surface Area
43.37
Rotatable Bonds
4
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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