Molecule

ID:80010

General Information
Structure
MolImage
Molecular Formula
C₁₀H₆Cl₄O
Molecular Mass
283.96604
Exact Mass
281.91727553
Charge
0
InChI
InChI=1S/C10H6Cl4O/c11-8-3-1-7(2-4-8)9(15)5-6-10(12,13)14/h1-6H
InChIKey
ZBZHSFZLHPVIEA-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc(cc1)C(=O)/C=C/C(Cl)(Cl)Cl
Isomeric Smiles
O=C(c1ccc(cc1)Cl)/C=C/C(Cl)(Cl)Cl
Calculated Properties
JChem
Acid pKa
13.543711
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
4.262353
LogD (pH = 7.4)
4.2623525
Log P
4.262353
Molar Refractivity
67.0237
Polarizability
25.025229
Polar Surface Area
17.07
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
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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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