Molecule

ID:129184

General Information
Structure
MolImage
Molecular Formula
C₁₁H₈O₅
Molecular Mass
220.17822
Exact Mass
220.03717336
Charge
0
InChI
InChI=1S/C11H8O5/c12-6-3-1-2-5-4-7(13)10(15)11(16)8(5)9(6)14/h1-4,13,15-16H,(H,12,14)
InChIKey
WDGFFVCWBZVLCE-UHFFFAOYSA-N
Canonic Smiles
Oc1cc2cccc(=O)c(c2c(c1O)O)O
Isomeric Smiles
c1cc(=O)c(c2c(c1)cc(c(c2O)O)O)O
Calculated Properties
JChem
Acid pKa
8.107292
H Acceptors
5
H Donor
4
LogD (pH = 5.5)
0.073698744
LogD (pH = 7.4)
-0.0012922736
Log P
0.0787472
Molar Refractivity
61.9929
Polarizability
20.951511
Polar Surface Area
97.99
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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