Molecule

ID:97336

General Information
Structure
Molecular Formula
C₉H₁₁F₄NO₃S
Molecular Mass
289.2471528
Exact Mass
289.0395771
Charge
0
InChI
InChI=1S/C8H11FN.CHF3O3S/c1-6-4-7(2)10(9)8(3)5-6;2-1(3,4)8(5,6)7/h4-5H,1-3H3;(H,5,6,7)/q+1;/p-1
InChIKey
PRIGFEJKMMRJSF-UHFFFAOYSA-M
Canonic Smiles
FC(S(=O)(=O)[O-])(F)F.Cc1cc(C)cc([n+]1F)C
Isomeric Smiles
[n+]1(c(cc(cc1C)C)C)F.S(=O)(=O)(C(F)(F)F)[O-]
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
-1.7106423
LogD (pH = 7.4)
-1.7106423
Log P
-1.7106423
Molar Refractivity
41.995
Polarizability
14.589472
Polar Surface Area
3.88
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
No Data Available
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Molecule Details
References
Bioactivity
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