Molecule

ID:93135

General Information
Structure
MolImage
Molecular Formula
C₆H₆FNO₂S
Molecular Mass
175.1807432
Exact Mass
175.01032766
Charge
0
InChI
InChI=1S/C6H6FNO2S/c7-5-3-1-2-4-6(5)11(8,9)10/h1-4H,(H2,8,9,10)
InChIKey
WFLBWYLZCQOPCA-UHFFFAOYSA-N
Canonic Smiles
Fc1ccccc1S(=O)(=O)N
Isomeric Smiles
S(=O)(=O)(c1c(cccc1)F)N
Calculated Properties
JChem
Acid pKa
8.751272
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.72176284
LogD (pH = 7.4)
0.7052546
Log P
0.72197855
Molar Refractivity
38.4323
Polarizability
15.397246
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