Molecule
ID:95140
General Information
Molecular Formula
C₉H₂F₁₈O₃S
Molecular Mass
532.1466376
Exact Mass
531.94372288
Charge
0
InChI
InChI=1S/C9H2F18O3S/c10-2(11,1-30-31(28,29)9(25,26)27)3(12,13)4(14,15)5(16,17)6(18,19)7(20,21)8(22,23)24/h1H2
InChIKey
QUAJSEUQBPUVAU-UHFFFAOYSA-N
Canonic Smiles
FC(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(COS(=O)(=O)C(F)(F)F)F
Isomeric Smiles
O(CC(C(C(C(F)(F)C(C(F)(F)C(F)(F)F)(F)F)(F)F)(F)F)(F)F)S(=O)(=O)C(F)(F)F
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
6.6849504
LogD (pH = 7.4)
6.6849504
Log P
6.6849504
Molar Refractivity
54.9223
Polarizability
22.853165
Polar Surface Area
43.37
Rotatable Bonds
10
Lipinski's Rule of Five
false
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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