Molecule

ID:39716

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₀O₆
Molecular Mass
250.2042
Exact Mass
250.04773804
Charge
0
InChI
InChI=1S/C12H10O6/c1-16-9-8(10(14)17-2)12(18-11(9)15)5-3-7(13)4-6-12/h3-6H,1-2H3
InChIKey
YQBSITHZZJCGGU-UHFFFAOYSA-N
Canonic Smiles
COC(=O)C1=C(OC)C(=O)OC21C=CC(=O)C=C2
Isomeric Smiles
C1(=C(C(=O)OC21C=CC(=O)C=C2)OC)C(=O)OC
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
0.79635
LogD (pH = 7.4)
0.79635
Log P
0.79635
Molar Refractivity
62.1581
Polarizability
23.08682
Polar Surface Area
78.9
Rotatable Bonds
3
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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