Molecule

ID:100920

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₉F₃O₁₂S
Molecular Mass
480.3643696
Exact Mass
480.05493171
Charge
0
InChI
InChI=1S/C15H19F3O12S/c1-6(19)25-5-10-11(26-7(2)20)12(27-8(3)21)13(14(29-10)28-9(4)22)30-31(23,24)15(16,17)18/h10-14H,5H2,1-4H3/t10-,11-,12+,13-,14+/m1/s1
InChIKey
OIBDVHSTOUGZTJ-RGDJUOJXSA-N
Canonic Smiles
CC(=O)OC[C@H]1O[C@H](OC(=O)C)[C@@H]([C@H]([C@@H]1OC(=O)C)OC(=O)C)OS(=O)(=O)C(F)(F)F
Isomeric Smiles
O1[C@@H]([C@@H]([C@H]([C@@H]([C@H]1COC(=O)C)OC(=O)C)OC(=O)C)OS(=O)(=O)C(F)(F)F)OC(=O)C
Calculated Properties
JChem
H Acceptors
7
H Donor
0
LogD (pH = 5.5)
0.87653726
LogD (pH = 7.4)
0.87653726
Log P
0.87653726
Molar Refractivity
85.7323
Polarizability
36.547676
Polar Surface Area
157.8
Rotatable Bonds
12
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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