Molecule

ID:19168

General Information
Structure
MolImage
Molecular Formula
C₇H₆F₃NO₂S
Molecular Mass
225.1882496
Exact Mass
225.0071341
Charge
0
InChI
InChI=1S/C7H6F3NO2S/c8-7(9,10)5-1-3-6(4-2-5)14(11,12)13/h1-4H,(H2,11,12,13)
InChIKey
TVHXQQJDMHKGGK-UHFFFAOYSA-N
Canonic Smiles
FC(c1ccc(cc1)S(=O)(=O)N)(F)F
Isomeric Smiles
c1c(ccc(c1)S(=O)(=O)N)C(F)(F)F
Calculated Properties
JChem
Acid pKa
10.174868
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.457117
LogD (pH = 7.4)
1.4564795
Log P
1.4571251
Molar Refractivity
44.1896
Polarizability
17.009483
Polar Surface Area
60.16
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
Click here to submit data
Molecular Spectra
No Data Available
Click here to submit data
Molecule Details
References
Bioactivity
Navigation