Molecule

ID:78741

General Information
Structure
MolImage
Molecular Formula
C₁₀H₄Cl₂O₄
Molecular Mass
259.04236
Exact Mass
257.94866397
Charge
0
InChI
InChI=1S/C10H4Cl2O4/c11-5-1-4-2-6(9(13)14)10(15)16-8(4)7(12)3-5/h1-3H,(H,13,14)
InChIKey
WJEHZKIVHXRVSR-UHFFFAOYSA-N
Canonic Smiles
Clc1cc(Cl)c2c(c1)cc(c(=O)o2)C(=O)O
Isomeric Smiles
o1c(=O)c(cc2c1c(cc(c2)Cl)Cl)C(=O)O
Calculated Properties
JChem
Acid pKa
2.653728
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-0.18634775
LogD (pH = 7.4)
-0.9251904
Log P
2.578692
Molar Refractivity
57.2325
Polarizability
22.035955
Polar Surface Area
63.6
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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