Molecule

ID:40824

General Information
Structure
MolImage
Molecular Formula
C₂₀H₁₈O₃
Molecular Mass
306.35512
Exact Mass
306.12559444
Charge
0
InChI
InChI=1S/C20H18O3/c21-14-17-8-4-5-9-20(17)23-19-12-10-18(11-13-19)22-15-16-6-2-1-3-7-16/h1-13,21H,14-15H2
InChIKey
ZSNFMNLYCIZMKQ-UHFFFAOYSA-N
Canonic Smiles
OCc1ccccc1Oc1ccc(cc1)OCc1ccccc1
Isomeric Smiles
c1(Oc2ccc(OCc3ccccc3)cc2)c(CO)cccc1
Calculated Properties
JChem
Acid pKa
14.666256
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
4.272985
LogD (pH = 7.4)
4.272985
Log P
4.272985
Molar Refractivity
90.1905
Polarizability
35.237534
Polar Surface Area
38.69
Rotatable Bonds
6
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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