Molecule
ID:83584
General Information
Molecular Formula
C₂₂H₁₆Cl₂O₃
Molecular Mass
399.26664
Exact Mass
398.04764973
Charge
0
InChI
InChI=1S/C22H16Cl2O3/c23-17-11-10-15(12-18(17)24)21-22(27-21)20(25)16-8-4-5-9-19(16)26-13-14-6-2-1-3-7-14/h1-12,21-22H,13H2
InChIKey
ARMDOHNIDKVTCH-UHFFFAOYSA-N
Canonic Smiles
O=C(C1OC1c1ccc(c(c1)Cl)Cl)c1ccccc1OCc1ccccc1
Isomeric Smiles
O1C(C1c1ccc(c(c1)Cl)Cl)C(=O)c1ccccc1OCc1ccccc1
Calculated Properties
JChem
Acid pKa
15.208298
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
5.9563346
LogD (pH = 7.4)
5.9563346
Log P
5.9563346
Molar Refractivity
105.6587
Polarizability
41.32892
Polar Surface Area
38.83
Rotatable Bonds
6
Lipinski's Rule of Five
false
Data Source
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Names and Identifiers
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Registration numbers
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Properties
No Data Available
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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