Molecule
ID:12121
General Information
Molecular Formula
C₄F₉KO₄S
Molecular Mass
354.1893288
Exact Mass
353.90106514
Charge
0
InChI
InChI=1S/C4HF9O4S.K/c5-1(6,7)2(8,9)17-3(10,11)4(12,13)18(14,15)16;/h(H,14,15,16);/q;+1/p-1
InChIKey
LRLOPVLXVNLHIC-UHFFFAOYSA-M
Canonic Smiles
FC(C(F)(F)F)(OC(C(S(=O)(=O)[O-])(F)F)(F)F)F.[K+]
Isomeric Smiles
[K+].[O-]S(=O)(=O)C(C(OC(C(F)(F)F)(F)F)(F)F)(F)F
Calculated Properties
JChem
Acid pKa
-3.3220124
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
0.49887484
LogD (pH = 7.4)
0.4988747
Log P
0.5441794
Molar Refractivity
34.0229
Polarizability
14.001282
Polar Surface Area
66.43
Rotatable Bonds
5
Lipinski's Rule of Five
true
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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