Molecule

ID:100349

General Information
Structure
MolImage
Molecular Formula
C₇H₄F₃NO₃S
Molecular Mass
239.1717696
Exact Mass
238.98639865
Charge
0
InChI
InChI=1S/C7H4F3NO3S/c8-7(9,10)15(14)6-3-1-5(2-4-6)11(12)13/h1-4H
InChIKey
FEEZTKJJCSPLDF-UHFFFAOYSA-N
Canonic Smiles
FC(S(=O)c1ccc(cc1)[N+](=O)[O-])(F)F
Isomeric Smiles
S(=O)(c1ccc(cc1)[N+](=O)[O-])C(F)(F)F
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
2.7550552
LogD (pH = 7.4)
2.7550552
Log P
2.7550552
Molar Refractivity
47.7399
Polarizability
17.337698
Polar Surface Area
62.89
Rotatable Bonds
3
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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