Molecule

ID:100277

General Information
Structure
MolImage
Molecular Formula
C₆H₃F₄NO₃S
Molecular Mass
245.1515328
Exact Mass
244.97697684
Charge
0
InChI
InChI=1S/C6H3F4NO3S/c7-6(8,9)4-1-2-5(11(10)3-4)15(12,13)14/h1-3H
InChIKey
MEYCMYZKEHOPIF-UHFFFAOYSA-N
Canonic Smiles
F[n+]1cc(ccc1S(=O)(=O)[O-])C(F)(F)F
Isomeric Smiles
[n+]1(c(ccc(c1)C(F)(F)F)S(=O)(=O)[O-])F
Calculated Properties
JChem
Acid pKa
-4.3399234
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
0.6165417
LogD (pH = 7.4)
0.6165338
Log P
-1.4070594
Molar Refractivity
41.9996
Polarizability
15.758743
Polar Surface Area
61.08
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
暂无数据
点击上传数据
References
Bioactivity
Navigation