Molecule

ID:91645

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₂O₃
Molecular Mass
228.24328
Exact Mass
228.07864424
Charge
0
InChI
InChI=1S/C14H12O3/c1-9-2-4-10(5-3-9)11-6-7-13(15)12(8-11)14(16)17/h2-8,15H,1H3,(H,16,17)
InChIKey
JLOYUQAJKMNTAU-UHFFFAOYSA-N
Canonic Smiles
Cc1ccc(cc1)c1ccc(c(c1)C(=O)O)O
Isomeric Smiles
Oc1c(cc(cc1)c1ccc(cc1)C)C(=O)O
Calculated Properties
JChem
Acid pKa
2.7037678
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
1.4146391
LogD (pH = 7.4)
0.6370516
Log P
4.1379104
Molar Refractivity
65.4725
Polarizability
25.971987
Polar Surface Area
57.53
Rotatable Bonds
2
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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