Molecule

ID:95484

General Information
Structure
MolImage
Molecular Formula
C₁₉H₁₈F₆N₂O₄S
Molecular Mass
484.4126392
Exact Mass
484.08914739
Charge
0
InChI
InChI=1S/C19H18F6N2O4S/c1-3-31-16(28)17(19(23,24)25,26-15-7-5-4-6-14(15)18(20,21)22)27-32(29,30)13-10-8-12(2)9-11-13/h4-11,26-27H,3H2,1-2H3
InChIKey
WVKWWSHRARYVGA-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)C(C(F)(F)F)(NS(=O)(=O)c1ccc(cc1)C)Nc1ccccc1C(F)(F)F
Isomeric Smiles
S(=O)(=O)(c1ccc(cc1)C)NC(C(F)(F)F)(Nc1c(cccc1)C(F)(F)F)C(=O)OCC
Calculated Properties
JChem
Acid pKa
7.0086193
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
5.256478
LogD (pH = 7.4)
4.7796187
Log P
5.2690663
Molar Refractivity
104.4581
Polarizability
38.865196
Polar Surface Area
84.5
Rotatable Bonds
9
Lipinski's Rule of Five
false
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
Click here to submit data
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