Molecule

ID:11925

General Information
Structure
MolImage
Molecular Formula
C₇H₁₁F₃N₂O₃S
Molecular Mass
260.2340496
Exact Mass
260.04424788
Charge
0
InChI
InChI=1S/C6H11N2.CHF3O3S/c1-3-8-5-4-7(2)6-8;2-1(3,4)8(5,6)7/h4-6H,3H2,1-2H3;(H,5,6,7)/q+1;/p-1
InChIKey
ZPTRYWVRCNOTAS-UHFFFAOYSA-M
Canonic Smiles
[O-]S(=O)(=O)C(F)(F)F.CCn1cc[n+](c1)C
Isomeric Smiles
c1[n+](cn(c1)CC)C.[O-]S(=O)(=O)C(F)(F)F
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
-3.1130686
LogD (pH = 7.4)
-3.1130686
Log P
-3.1130686
Molar Refractivity
33.6013
Polarizability
12.75589
Polar Surface Area
8.81
Rotatable Bonds
2
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
No Data Available
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Molecule Details
References
Bioactivity
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