Molecule

ID:91545

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₂O₃
Molecular Mass
240.25398
Exact Mass
240.07864424
Charge
0
InChI
InChI=1S/C15H12O3/c1-10(16)11-5-7-12(8-6-11)13-3-2-4-14(9-13)15(17)18/h2-9H,1H3,(H,17,18)
InChIKey
VKTBJVVRKRBWDI-UHFFFAOYSA-N
Canonic Smiles
CC(=O)c1ccc(cc1)c1cccc(c1)C(=O)O
Isomeric Smiles
O=C(c1cc(ccc1)c1ccc(cc1)C(=O)C)O
Calculated Properties
JChem
Acid pKa
3.9980967
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
1.3243924
LogD (pH = 7.4)
-0.3244591
Log P
2.8357017
Molar Refractivity
68.8532
Polarizability
27.34305
Polar Surface Area
54.37
Rotatable Bonds
3
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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