Molecule

ID:9179

General Information
Structure
MolImage
Molecular Formula
C₇H₆F₃NO₃S
Molecular Mass
241.1876496
Exact Mass
241.00204872
Charge
0
InChI
InChI=1S/C7H6F3NO3S/c8-7(9,10)14-5-1-3-6(4-2-5)15(11,12)13/h1-4H,(H2,11,12,13)
InChIKey
RGOJCHYYBKMRLL-UHFFFAOYSA-N
Canonic Smiles
FC(Oc1ccc(cc1)S(=O)(=O)N)(F)F
Isomeric Smiles
c1c(ccc(c1)S(=O)(=O)N)OC(F)(F)F
Calculated Properties
JChem
Acid pKa
10.347886
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
2.0103827
LogD (pH = 7.4)
2.0099547
Log P
2.0103881
Molar Refractivity
41.2862
Polarizability
17.813667
Polar Surface Area
69.39
Rotatable Bonds
3
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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