Molecule
ID:83583
General Information
Molecular Formula
C₂₂H₁₇ClO₃
Molecular Mass
364.82158
Exact Mass
364.08662208
Charge
0
InChI
InChI=1S/C22H17ClO3/c23-17-12-10-16(11-13-17)21-22(26-21)20(24)18-8-4-5-9-19(18)25-14-15-6-2-1-3-7-15/h1-13,21-22H,14H2
InChIKey
JUWMWHGJHDNAGE-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc(cc1)C1OC1C(=O)c1ccccc1OCc1ccccc1
Isomeric Smiles
O1C(C1c1ccc(cc1)Cl)C(=O)c1ccccc1OCc1ccccc1
Calculated Properties
JChem
Acid pKa
15.300888
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
5.3522897
LogD (pH = 7.4)
5.3522897
Log P
5.3522897
Molar Refractivity
100.8539
Polarizability
39.42364
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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