Molecule

ID:59744

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₀O₄
Molecular Mass
206.1947
Exact Mass
206.0579088
Charge
0
InChI
InChI=1S/C11H10O4/c1-5-6(2)11(14)15-9-4-7(12)3-8(13)10(5)9/h3-4,12-13H,1-2H3
InChIKey
YWBBXTBWPUJUMI-UHFFFAOYSA-N
Canonic Smiles
Oc1cc(O)c2c(c1)oc(=O)c(c2C)C
Isomeric Smiles
c1(c2c(oc(=O)c1C)cc(cc2O)O)C
Calculated Properties
JChem
Acid pKa
7.4123793
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
1.8659258
LogD (pH = 7.4)
1.5701674
Log P
1.8711741
Molar Refractivity
54.1495
Polarizability
20.620615
Polar Surface Area
66.76
Rotatable Bonds
0
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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