Molecule

ID:62028

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₄O₆
Molecular Mass
266.24666
Exact Mass
266.07903817
Charge
0
InChI
InChI=1S/C13H14O6/c1-8(10(14)6-13(15)16-2)19-9-3-4-11-12(5-9)18-7-17-11/h3-5,8H,6-7H2,1-2H3
InChIKey
XOCNZRVFGABEGV-UHFFFAOYSA-N
Canonic Smiles
COC(=O)CC(=O)C(Oc1ccc2c(c1)OCO2)C
Isomeric Smiles
C(C(=O)C(Oc1cc2c(OCO2)cc1)C)C(=O)OC
Calculated Properties
JChem
Acid pKa
10.137574
H Acceptors
5
H Donor
0
LogD (pH = 5.5)
2.086627
LogD (pH = 7.4)
2.0858436
Log P
1.8533036
Molar Refractivity
63.5309
Polarizability
25.46254
Polar Surface Area
71.06
Rotatable Bonds
6
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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