Molecule

ID:94929

General Information
Structure
MolImage
Molecular Formula
C₄F₉LiO₃S
Molecular Mass
306.0326288
Exact Mass
305.95844839
Charge
0
InChI
InChI=1S/C4HF9O3S.Li/c5-1(6,3(9,10)11)2(7,8)4(12,13)17(14,15)16;/h(H,14,15,16);/q;+1/p-1
InChIKey
FEDFHMISXKDOJI-UHFFFAOYSA-M
Canonic Smiles
FC(C(C(S(=O)(=O)[O-])(F)F)(F)F)(C(F)(F)F)F.[Li+]
Isomeric Smiles
S(=O)(=O)(C(F)(F)C(F)(F)C(C(F)(F)F)(F)F)[O-].[Li+]
Calculated Properties
JChem
Acid pKa
-3.314291
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
0.2508584
LogD (pH = 7.4)
0.25085825
Log P
2.627257
Molar Refractivity
31.1852
Polarizability
13.165969
Polar Surface Area
57.2
Rotatable Bonds
4
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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