Molecule

ID:59687

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₂O₆
Molecular Mass
264.23078
Exact Mass
264.0633881
Charge
0
InChI
InChI=1S/C13H12O6/c1-2-18-10(15)5-7-6-11(16)19-13-8(7)3-4-9(14)12(13)17/h3-4,6,14,17H,2,5H2,1H3
InChIKey
FYFASEMOZCVRMZ-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)Cc1cc(=O)oc2c1ccc(c2O)O
Isomeric Smiles
c12c(c(cc(=O)o2)CC(=O)OCC)ccc(c1O)O
Calculated Properties
JChem
Acid pKa
7.9678707
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
1.7511865
LogD (pH = 7.4)
1.649503
Log P
1.7526525
Molar Refractivity
65.5765
Polarizability
25.14329
Polar Surface Area
93.06
Rotatable Bonds
4
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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