Molecule

ID:11979

General Information
Structure
MolImage
Molecular Formula
C₁₉H₁₈F₆O₆S₂
Molecular Mass
520.4630392
Exact Mass
520.04489962
Charge
0
InChI
InChI=1S/C19H18F6O6S2/c1-13-3-7-15(8-4-13)32(26,27)30-11-17(20,21)19(24,25)18(22,23)12-31-33(28,29)16-9-5-14(2)6-10-16/h3-10H,11-12H2,1-2H3
InChIKey
LWISLGXGKZSROX-UHFFFAOYSA-N
Canonic Smiles
FC(C(COS(=O)(=O)c1ccc(cc1)C)(F)F)(C(COS(=O)(=O)c1ccc(cc1)C)(F)F)F
Isomeric Smiles
C(C(C(COS(=O)(=O)c1ccc(cc1)C)(F)F)(F)F)(COS(=O)(=O)c1ccc(cc1)C)(F)F
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
6.0214725
LogD (pH = 7.4)
6.0214725
Log P
6.0214725
Molar Refractivity
104.443
Polarizability
41.367256
Polar Surface Area
86.74
Rotatable Bonds
10
Lipinski's Rule of Five
false
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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