Molecule

ID:83797

General Information
Structure
MolImage
Molecular Formula
C₂₂H₁₇ClO₂
Molecular Mass
348.82218
Exact Mass
348.09170746
Charge
0
InChI
InChI=1S/C22H17ClO2/c23-19-10-6-9-17(15-19)13-14-21(24)20-11-4-5-12-22(20)25-16-18-7-2-1-3-8-18/h1-15H,16H2
InChIKey
CBESVJMWDYYCIO-UHFFFAOYSA-N
Canonic Smiles
Clc1cccc(c1)/C=C/C(=O)c1ccccc1OCc1ccccc1
Isomeric Smiles
O(c1ccccc1C(=O)/C=C/c1cccc(c1)Cl)Cc1ccccc1
Calculated Properties
JChem
Acid pKa
16.26897
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
6.061172
LogD (pH = 7.4)
6.061172
Log P
6.061172
Molar Refractivity
102.7576
Polarizability
39.318027
Polar Surface Area
26.3
Rotatable Bonds
6
Lipinski's Rule of Five
false
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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