Molecule

ID:131238

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₂O₃
Molecular Mass
240.25398
Exact Mass
240.07864424
Charge
0
InChI
InChI=1S/C15H12O3/c16-11-6-7-12-13(17)9-14(18-15(12)8-11)10-4-2-1-3-5-10/h1-8,14,16H,9H2
InChIKey
SWAJPHCXKPCPQZ-UHFFFAOYSA-N
Canonic Smiles
Oc1ccc2c(c1)OC(CC2=O)c1ccccc1
Isomeric Smiles
c1ccc(cc1)C1CC(=O)c2ccc(cc2O1)O
Calculated Properties
JChem
LogD (pH = 7.4)
2.65
LogD (pH = 5.5)
2.79
Log P
2.79
Rotatable Bonds
1
H Donor
1
H Acceptors
3
Lipinski's Rule of Five
true
Acid pKa
7.80
Polar Surface Area
46.53
Polarizability
25.37
Molar Refractivity
67.33
LOG S
-3.50
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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