Molecule

ID:7954

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₀O₄
Molecular Mass
206.1947
Exact Mass
206.0579088
Charge
0
InChI
InChI=1S/C11H10O4/c1-2-14-8-5-3-4-7-6-9(11(12)13)15-10(7)8/h3-6H,2H2,1H3,(H,12,13)
InChIKey
DQJVZIUEXPTEKX-UHFFFAOYSA-N
Canonic Smiles
CCOc1cccc2c1oc(c2)C(=O)O
Isomeric Smiles
c1cc(c2c(c1)cc(o2)C(=O)O)OCC
Calculated Properties
JChem
Acid pKa
3.1320279
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-0.43179387
LogD (pH = 7.4)
-1.5475657
Log P
1.9090899
Molar Refractivity
53.2446
Polarizability
21.411907
Polar Surface Area
59.67
Rotatable Bonds
3
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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