Molecule

ID:36983

General Information
Structure
MolImage
Molecular Formula
C₂₀H₁₆O₂
Molecular Mass
288.33984
Exact Mass
288.11502975
Charge
0
InChI
InChI=1S/C20H16O2/c21-20(15-16-7-3-1-4-8-16)17-11-13-19(14-12-17)22-18-9-5-2-6-10-18/h1-14H,15H2
InChIKey
VCMKHEUGFIWHAJ-UHFFFAOYSA-N
Canonic Smiles
O=C(c1ccc(cc1)Oc1ccccc1)Cc1ccccc1
Isomeric Smiles
c1ccc(cc1)Oc1ccc(cc1)C(=O)Cc1ccccc1
Calculated Properties
JChem
Acid pKa
15.684305
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
4.8655205
LogD (pH = 7.4)
4.8655205
Log P
4.8655205
Molar Refractivity
87.4235
Polarizability
34.032333
Polar Surface Area
26.3
Rotatable Bonds
5
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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