Molecule

ID:115282

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₀O₆
Molecular Mass
250.2042
Exact Mass
250.04773804
Charge
0
InChI
InChI=1S/C12H10O6/c1-16-12(15)9(14)5-8(13)7-2-3-10-11(4-7)18-6-17-10/h2-4H,5-6H2,1H3
InChIKey
PIOJWDDCFUZORX-UHFFFAOYSA-N
Canonic Smiles
COC(=O)C(=O)CC(=O)c1ccc2c(c1)OCO2
Isomeric Smiles
C(=O)(CC(=O)c1cc2c(OCO2)cc1)C(=O)OC
Calculated Properties
JChem
Acid pKa
8.788757
H Acceptors
5
H Donor
0
LogD (pH = 5.5)
1.7145791
LogD (pH = 7.4)
1.6974238
Log P
1.7148023
Molar Refractivity
58.6869
Polarizability
23.032925
Polar Surface Area
78.9
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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