Molecule

ID:41901

General Information
Structure
MolImage
Molecular Formula
C₂₂H₁₈O₃
Molecular Mass
330.37652
Exact Mass
330.12559444
Charge
0
InChI
InChI=1S/C22H18O3/c23-22(24)21(19-9-5-2-6-10-19)15-17-11-13-20(14-12-17)25-16-18-7-3-1-4-8-18/h1-15H,16H2,(H,23,24)/b21-15+
InChIKey
GHIXOMKXVXTZOO-RCCKNPSSSA-N
Canonic Smiles
OC(=O)/C(=C/c1ccc(cc1)OCc1ccccc1)/c1ccccc1
Isomeric Smiles
C(=C\c1ccc(OCc2ccccc2)cc1)(/C(=O)O)\c1ccccc1
Calculated Properties
JChem
Acid pKa
3.886677
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
3.7524364
LogD (pH = 7.4)
2.1505525
Log P
5.370976
Molar Refractivity
98.5878
Polarizability
37.98384
Polar Surface Area
46.53
Rotatable Bonds
6
Lipinski's Rule of Five
false
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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