Molecule

ID:44214

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₂Cl₂O₂
Molecular Mass
295.16058
Exact Mass
294.02143498
Charge
0
InChI
InChI=1S/C15H12Cl2O2/c1-10(18)12-3-5-13(6-4-12)19-9-11-2-7-14(16)15(17)8-11/h2-8H,9H2,1H3
InChIKey
GEKQPJHLFWEGPX-UHFFFAOYSA-N
Canonic Smiles
CC(=O)c1ccc(cc1)OCc1ccc(c(c1)Cl)Cl
Isomeric Smiles
c1(c(ccc(c1)COc1ccc(C(=O)C)cc1)Cl)Cl
Calculated Properties
JChem
Acid pKa
16.271011
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
4.3057847
LogD (pH = 7.4)
4.3057847
Log P
4.3057847
Molar Refractivity
77.1462
Polarizability
29.941414
Polar Surface Area
26.3
Rotatable Bonds
4
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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