Molecule

ID:41111

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₂Cl₂O₂
Molecular Mass
295.16058
Exact Mass
294.02143498
Charge
0
InChI
InChI=1S/C15H12Cl2O2/c1-10(18)11-3-2-4-14(7-11)19-9-12-5-6-13(16)8-15(12)17/h2-8H,9H2,1H3
InChIKey
QXALPCTYXQPDIL-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc(c(c1)Cl)COc1cccc(c1)C(=O)C
Isomeric Smiles
c1(c(COc2cc(C(=O)C)ccc2)ccc(c1)Cl)Cl
Calculated Properties
JChem
Acid pKa
15.9515295
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
29.919132
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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