Molecule

ID:98362

General Information
Structure
MolImage
Molecular Formula
C₆H₅ClFNO₂S
Molecular Mass
209.6258032
Exact Mass
208.97135531
Charge
0
InChI
InChI=1S/C6H5ClFNO2S/c7-4-2-1-3-5(6(4)8)12(9,10)11/h1-3H,(H2,9,10,11)
InChIKey
HJXNWGNMNKJAEY-UHFFFAOYSA-N
Canonic Smiles
Clc1cccc(c1F)S(=O)(=O)N
Isomeric Smiles
S(=O)(=O)(c1c(c(ccc1)Cl)F)N
Calculated Properties
JChem
Acid pKa
8.09325
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.325043
LogD (pH = 7.4)
1.2558059
Log P
1.3260232
Molar Refractivity
43.2371
Polarizability
17.39945
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
暂无数据
点击上传数据
References
Bioactivity
Navigation