Molecule

ID:8217

General Information
Structure
MolImage
Molecular Formula
C₉H₁₇F₆NO₃S
Molecular Mass
333.2915992
Exact Mass
333.08333373
Charge
0
InChI
InChI=1S/C8H17F3N.CHF3O3S/c1-4-12(5-2,6-3)7-8(9,10)11;2-1(3,4)8(5,6)7/h4-7H2,1-3H3;(H,5,6,7)/q+1;/p-1
InChIKey
VDBVQAPVHZQGQS-UHFFFAOYSA-M
Canonic Smiles
FC(S(=O)(=O)[O-])(F)F.CC[N+](CC(F)(F)F)(CC)CC
Isomeric Smiles
[N+](CC(F)(F)F)(CC)(CC)CC.[O-]S(=O)(=O)C(F)(F)F
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
-1.946647
LogD (pH = 7.4)
-1.946647
Log P
-1.946647
Molar Refractivity
55.5976
Polarizability
16.229744
Polar Surface Area
0.0
Rotatable Bonds
6
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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