Molecule

ID:9058

General Information
Structure
MolImage
Molecular Formula
C₆H₅F₂NO₂S
Molecular Mass
193.1712064
Exact Mass
193.00090585
Charge
0
InChI
InChI=1S/C6H5F2NO2S/c7-5-2-1-4(3-6(5)8)12(9,10)11/h1-3H,(H2,9,10,11)
InChIKey
VFVVRYNJTGHAIE-UHFFFAOYSA-N
Canonic Smiles
Fc1ccc(cc1F)S(=O)(=O)N
Isomeric Smiles
c1c(c(cc(c1)S(=O)(=O)N)F)F
Calculated Properties
JChem
Acid pKa
9.0194235
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.8645641
LogD (pH = 7.4)
0.85555995
Log P
0.86468047
Molar Refractivity
38.6487
Polarizability
15.24587
Polar Surface Area
60.16
Rotatable Bonds
1
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