Molecule

ID:42370

General Information
Structure
MolImage
Molecular Formula
C₁₁H₈O₄
Molecular Mass
204.17882
Exact Mass
204.04225874
Charge
0
InChI
InChI=1S/C11H8O4/c12-7-5-14-10-6-3-1-2-4-8(6)15-11(13)9(7)10/h1-4,7,12H,5H2
InChIKey
BGEWTPOASROOHX-UHFFFAOYSA-N
Canonic Smiles
OC1COc2c1c(=O)oc1c2cccc1
Isomeric Smiles
c12c(c(=O)oc3c1cccc3)C(CO2)O
Calculated Properties
JChem
Acid pKa
13.412996
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
0.14566156
LogD (pH = 7.4)
0.14566115
Log P
0.14566156
Molar Refractivity
52.0251
Polarizability
19.996494
Polar Surface Area
55.76
Rotatable Bonds
0
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
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Molecule Details
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References
Bioactivity
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