Molecule

ID:22529

General Information
Structure
MolImage
Molecular Formula
C₈H₈F₃NO₄S₂
Molecular Mass
303.2786296
Exact Mass
302.9846844
Charge
0
InChI
InChI=1S/C8H8F3NO4S2/c1-3-16-6(13)4-5(8(9,10)11)12-7(17-4)18(2,14)15/h3H2,1-2H3
InChIKey
NWECTZZKNWFTHO-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)c1sc(nc1C(F)(F)F)S(=O)(=O)C
Isomeric Smiles
S(=O)(=O)(c1sc(c(n1)C(F)(F)F)C(=O)OCC)C
Calculated Properties
JChem
Acid pKa
19.096972
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
1.9130203
LogD (pH = 7.4)
1.9130203
Log P
1.9130203
Molar Refractivity
56.903
Polarizability
22.1668
Polar Surface Area
73.33
Rotatable Bonds
5
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