Molecule

ID:18803

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₀O₄
Molecular Mass
218.2054
Exact Mass
218.0579088
Charge
0
InChI
InChI=1S/C12H10O4/c1-6-3-7(2)11-8(4-6)9(13)5-10(16-11)12(14)15/h3-5H,1-2H3,(H,14,15)
InChIKey
PQUJCDXKEIHDCF-UHFFFAOYSA-N
Canonic Smiles
Cc1cc(C)c2c(c1)c(=O)cc(o2)C(=O)O
Isomeric Smiles
c1(oc2c(c(=O)c1)cc(cc2C)C)C(=O)O
Calculated Properties
JChem
Acid pKa
2.578247
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-0.5229527
LogD (pH = 7.4)
-1.185123
Log P
2.3239498
Molar Refractivity
58.6758
Polarizability
21.532318
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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