Molecule

ID:80023

General Information
Structure
MolImage
Molecular Formula
C₁₀H₈Cl₄O₂
Molecular Mass
301.98132
Exact Mass
299.92784022
Charge
0
InChI
InChI=1S/C10H8Cl4O2/c11-7-3-1-6(2-4-7)8(15)5-9(16)10(12,13)14/h1-4,9,16H,5H2
InChIKey
MHOGUDWEFBUWFC-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc(cc1)C(=O)CC(C(Cl)(Cl)Cl)O
Isomeric Smiles
O=C(c1ccc(cc1)Cl)CC(C(Cl)(Cl)Cl)O
Calculated Properties
JChem
Acid pKa
11.454822
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
3.1896253
LogD (pH = 7.4)
3.1895876
Log P
3.1896257
Molar Refractivity
67.2919
Polarizability
25.971323
Polar Surface Area
37.3
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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