Molecule

ID:91608

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₀O₃
Molecular Mass
226.2274
Exact Mass
226.06299418
Charge
0
InChI
InChI=1S/C14H10O3/c15-9-12-3-1-2-4-13(12)10-5-7-11(8-6-10)14(16)17/h1-9H,(H,16,17)
InChIKey
WCKIOKGQNVOJGT-UHFFFAOYSA-N
Canonic Smiles
O=Cc1ccccc1c1ccc(cc1)C(=O)O
Isomeric Smiles
O=Cc1c(cccc1)c1ccc(cc1)C(=O)O
Calculated Properties
JChem
Acid pKa
4.0372133
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
1.5167681
LogD (pH = 7.4)
-0.14678133
Log P
2.9905565
Molar Refractivity
65.0344
Polarizability
25.50251
Polar Surface Area
54.37
Rotatable Bonds
3
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
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References
Bioactivity
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