Molecule

ID:57374

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₀O₄
Molecular Mass
218.2054
Exact Mass
218.0579088
Charge
0
InChI
InChI=1S/C12H10O4/c1-6-3-12(15)16-11-5-10(14)9(7(2)13)4-8(6)11/h3-5,14H,1-2H3
InChIKey
AYAFDQIOLUUJHW-UHFFFAOYSA-N
Canonic Smiles
O=c1cc(C)c2c(o1)cc(c(c2)C(=O)C)O
Isomeric Smiles
c1(c(cc2c(c1)c(cc(=O)o2)C)O)C(=O)C
Calculated Properties
JChem
Acid pKa
8.40099
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
1.9862956
LogD (pH = 7.4)
1.9458748
Log P
1.9868364
Molar Refractivity
58.2143
Polarizability
21.90589
Polar Surface Area
63.6
Rotatable Bonds
1
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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