Molecule

ID:56957

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₂Cl₂O₂
Molecular Mass
295.16058
Exact Mass
294.02143498
Charge
0
InChI
InChI=1S/C15H12Cl2O2/c1-10-2-4-11(5-3-10)9-19-14-7-6-12(16)8-13(14)15(17)18/h2-8H,9H2,1H3
InChIKey
VBFOIZFKLYQZBJ-UHFFFAOYSA-N
Canonic Smiles
Cc1ccc(cc1)COc1ccc(cc1C(=O)Cl)Cl
Isomeric Smiles
c1(cc(c(cc1)OCc1ccc(cc1)C)C(=O)Cl)Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
4.8484263
LogD (pH = 7.4)
4.8484263
Log P
4.8484263
Molar Refractivity
78.0945
Polarizability
29.82099
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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