Molecule

ID:115283

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₄O₆
Molecular Mass
266.24666
Exact Mass
266.07903817
Charge
0
InChI
InChI=1S/C13H14O6/c1-17-11-5-4-8(6-12(11)18-2)9(14)7-10(15)13(16)19-3/h4-6H,7H2,1-3H3
InChIKey
NWCXDAYQOSEQQS-UHFFFAOYSA-N
Canonic Smiles
COC(=O)C(=O)CC(=O)c1ccc(c(c1)OC)OC
Isomeric Smiles
C(=O)(CC(=O)c1cc(c(cc1)OC)OC)C(=O)OC
Calculated Properties
JChem
Acid pKa
8.842806
H Acceptors
5
H Donor
0
LogD (pH = 5.5)
1.7760292
LogD (pH = 7.4)
1.7608458
Log P
1.7762263
Molar Refractivity
65.8464
Polarizability
25.563183
Polar Surface Area
78.9
Rotatable Bonds
7
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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