Molecule

ID:98514

General Information
Structure
Molecular Formula
CF₃KO₂S
Molecular Mass
172.1680096
Exact Mass
171.92081658
Charge
0
InChI
InChI=1S/CHF3O2S.K/c2-1(3,4)7(5)6;/h(H,5,6);/q;+1/p-1
InChIKey
YJPOHGDCIPEPET-UHFFFAOYSA-M
Canonic Smiles
FC(S(=O)[O-])(F)F.[K+]
Isomeric Smiles
S(=O)([O-])C(F)(F)F.[K+]
Calculated Properties
JChem
Acid pKa
-4.0382323
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
-0.87109995
LogD (pH = 7.4)
-0.8711
Log P
1.3927
Molar Refractivity
14.4173
Polarizability
6.7215476
Polar Surface Area
40.13
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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