Molecule

ID:80595

General Information
Structure
Molecular Formula
C₁₄H₁₀O₄
Molecular Mass
242.2268
Exact Mass
242.0579088
Charge
0
InChI
InChI=1S/C14H10O4/c15-13(16)11-5-1-9(2-6-11)10-3-7-12(8-4-10)14(17)18/h1-8H,(H,15,16)(H,17,18)
InChIKey
NEQFBGHQPUXOFH-UHFFFAOYSA-N
Canonic Smiles
OC(=O)c1ccc(cc1)c1ccc(cc1)C(=O)O
Isomeric Smiles
OC(=O)c1ccc(cc1)c1ccc(cc1)C(=O)O
Calculated Properties
JChem
Acid pKa
3.7565286
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
0.04535594
LogD (pH = 7.4)
-3.2979357
Log P
2.935637
Molar Refractivity
65.7066
Polarizability
25.917017
Polar Surface Area
74.6
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
References
Bioactivity
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