Molecule
ID:58803
General Information
Molecular Formula
C₂₃H₂₀O₂
Molecular Mass
328.4037
Exact Mass
328.14632988
Charge
0
InChI
InChI=1S/C23H20O2/c24-22(19-12-6-2-7-13-19)16-21(18-10-4-1-5-11-18)17-23(25)20-14-8-3-9-15-20/h1-15,21H,16-17H2
InChIKey
SQFIJFCIFAVGEG-UHFFFAOYSA-N
Canonic Smiles
O=C(c1ccccc1)CC(c1ccccc1)CC(=O)c1ccccc1
Isomeric Smiles
c1cccc(c1)C(=O)CC(CC(=O)c1ccccc1)c1ccccc1
Calculated Properties
JChem
Acid pKa
13.753295
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
4.975387
LogD (pH = 7.4)
4.975387
Log P
4.975387
Molar Refractivity
100.4158
Polarizability
38.883575
Polar Surface Area
34.14
Rotatable Bonds
7
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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