Molecule

ID:98365

General Information
Structure
MolImage
Molecular Formula
C₇H₅F₃N₂O₄S
Molecular Mass
270.1858096
Exact Mass
269.99221231
Charge
0
InChI
InChI=1S/C7H5F3N2O4S/c8-7(9,10)5-3-4(17(11,15)16)1-2-6(5)12(13)14/h1-3H,(H2,11,15,16)
InChIKey
JZDSLOPGYDEFOJ-UHFFFAOYSA-N
Canonic Smiles
[O-][N+](=O)c1ccc(cc1C(F)(F)F)S(=O)(=O)N
Isomeric Smiles
S(=O)(=O)(c1cc(c(cc1)[N+](=O)[O-])C(F)(F)F)N
Calculated Properties
JChem
Acid pKa
9.489602
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
1.3970698
LogD (pH = 7.4)
1.393993
Log P
1.3971093
Molar Refractivity
51.5143
Polarizability
19.183962
Polar Surface Area
105.98
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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