Molecule

ID:107623

General Information
Structure
MolImage
Molecular Formula
C₂₃H₁₆O₃
Molecular Mass
340.37134
Exact Mass
340.10994437
Charge
0
InChI
InChI=1S/C23H16O3/c24-21-17-13-7-8-14-18(17)22(25)20(21)23(26)19(15-9-3-1-4-10-15)16-11-5-2-6-12-16/h1-14,19-20H
InChIKey
JYGLAHSAISAEAL-UHFFFAOYSA-N
Canonic Smiles
O=C(C1C(=O)c2c(C1=O)cccc2)C(c1ccccc1)c1ccccc1
Isomeric Smiles
O=C(C1C(=O)c2ccccc2C1=O)C(c1ccccc1)c1ccccc1
Calculated Properties
JChem
Acid pKa
4.177301
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
3.503853
LogD (pH = 7.4)
2.711609
Log P
4.7795496
Molar Refractivity
99.7982
Polarizability
38.177753
Polar Surface Area
51.21
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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