Molecule

ID:50730

General Information
Structure
MolImage
Molecular Formula
C₂₁H₁₈O₃
Molecular Mass
318.36582
Exact Mass
318.12559444
Charge
0
InChI
InChI=1S/C21H18O3/c22-14-19-13-20(23-15-17-7-3-1-4-8-17)11-12-21(19)24-16-18-9-5-2-6-10-18/h1-14H,15-16H2
InChIKey
MPNYEOHUDBSABW-UHFFFAOYSA-N
Canonic Smiles
O=Cc1cc(OCc2ccccc2)ccc1OCc1ccccc1
Isomeric Smiles
c1(c(OCc2ccccc2)ccc(c1)OCc1ccccc1)C=O
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
4.8193517
LogD (pH = 7.4)
4.8193517
Log P
4.8193517
Molar Refractivity
94.7936
Polarizability
36.457474
Polar Surface Area
35.53
Rotatable Bonds
7
Lipinski's Rule of Five
true
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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