Molecule

ID:85483

General Information
Structure
MolImage
Molecular Formula
C₂₀H₁₆O₂
Molecular Mass
288.33984
Exact Mass
288.11502975
Charge
0
InChI
InChI=1S/C20H16O2/c1-22-19-11-6-15(7-12-19)8-13-20(21)18-10-9-16-4-2-3-5-17(16)14-18/h2-14H,1H3
InChIKey
VZFRSPMIFYIXSS-UHFFFAOYSA-N
Canonic Smiles
COc1ccc(cc1)/C=C/C(=O)c1ccc2c(c1)cccc2
Isomeric Smiles
O=C(c1cc2ccccc2cc1)/C=C/c1ccc(cc1)OC
Calculated Properties
JChem
Acid pKa
17.00419
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
4.722131
LogD (pH = 7.4)
4.722131
Log P
4.722131
Molar Refractivity
89.7904
Polarizability
35.469105
Polar Surface Area
26.3
Rotatable Bonds
4
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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