Molecule

ID:75357

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₀O₆
Molecular Mass
238.1935
Exact Mass
238.04773804
Charge
0
InChI
InChI=1S/C11H10O6/c1-6(12)16-9-3-8(11(14)15)4-10(5-9)17-7(2)13/h3-5H,1-2H3,(H,14,15)
InChIKey
QBTDQJMLMVEUTQ-UHFFFAOYSA-N
Canonic Smiles
CC(=O)Oc1cc(OC(=O)C)cc(c1)C(=O)O
Isomeric Smiles
OC(=O)c1cc(cc(c1)OC(=O)C)OC(=O)C
Calculated Properties
JChem
Acid pKa
3.5517144
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-1.0965545
LogD (pH = 7.4)
-2.513936
Log P
0.8453507
Molar Refractivity
55.579
Polarizability
21.666952
Polar Surface Area
89.9
Rotatable Bonds
5
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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