Molecule

ID:28632

General Information
Structure
MolImage
Molecular Formula
C₂₀H₁₆O₂
Molecular Mass
288.33984
Exact Mass
288.11502975
Charge
0
InChI
InChI=1S/C20H16O2/c21-19(22)20(16-10-4-1-5-11-16,17-12-6-2-7-13-17)18-14-8-3-9-15-18/h1-15H,(H,21,22)
InChIKey
DCYGAPKNVCQNOE-UHFFFAOYSA-N
Canonic Smiles
OC(=O)C(c1ccccc1)(c1ccccc1)c1ccccc1
Isomeric Smiles
C(C(=O)O)(c1ccccc1)(c1ccccc1)c1ccccc1
Calculated Properties
JChem
Acid pKa
4.2938514
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
3.747302
LogD (pH = 7.4)
2.010141
Log P
4.9776025
Molar Refractivity
87.5092
Polarizability
33.73743
Polar Surface Area
37.3
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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