Molecule

ID:28219

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₂O₃
Molecular Mass
240.25398
Exact Mass
240.07864424
Charge
0
InChI
InChI=1S/C15H12O3/c16-10-12-5-4-8-14(9-12)18-11-15(17)13-6-2-1-3-7-13/h1-10H,11H2
InChIKey
UOFLOJIBGLCVNN-UHFFFAOYSA-N
Canonic Smiles
O=Cc1cccc(c1)OCC(=O)c1ccccc1
Isomeric Smiles
C(=O)(COc1cc(C=O)ccc1)c1ccccc1
Calculated Properties
JChem
Acid pKa
16.69066
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
2.7602992
LogD (pH = 7.4)
2.7602992
Log P
2.7602992
Molar Refractivity
69.0069
Polarizability
26.224028
Polar Surface Area
43.37
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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