Molecule

ID:89408

General Information
Structure
MolImage
Molecular Formula
C₂₂H₂₀O₃
Molecular Mass
332.3924
Exact Mass
332.1412445
Charge
0
InChI
InChI=1S/C22H20O3/c1-17(23)20-12-21(24-15-18-8-4-2-5-9-18)14-22(13-20)25-16-19-10-6-3-7-11-19/h2-14H,15-16H2,1H3
InChIKey
KOJXGMJOTRYLBD-UHFFFAOYSA-N
Canonic Smiles
CC(=O)c1cc(OCc2ccccc2)cc(c1)OCc1ccccc1
Isomeric Smiles
O=C(c1cc(cc(c1)OCc1ccccc1)OCc1ccccc1)C
Calculated Properties
JChem
Acid pKa
15.805443
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
4.664497
LogD (pH = 7.4)
4.664497
Log P
4.664497
Molar Refractivity
98.6124
Polarizability
38.30093
Polar Surface Area
35.53
Rotatable Bonds
7
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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