Molecule

ID:96068

General Information
Structure
MolImage
Molecular Formula
C₁₉H₁₉FN₂O₅S
Molecular Mass
406.4279632
Exact Mass
406.09987094
Charge
0
InChI
InChI=1S/C19H19FN2O5S/c1-22-11-12(14-5-3-4-6-17(14)22)9-16(19(23)24)21-28(25,26)13-7-8-18(27-2)15(20)10-13/h3-8,10-11,16,21H,9H2,1-2H3,(H,23,24)
InChIKey
MIRMFEWWXOBRMR-UHFFFAOYSA-N
Canonic Smiles
COc1ccc(cc1F)S(=O)(=O)NC(C(=O)O)Cc1cn(c2c1cccc2)C
Isomeric Smiles
S(=O)(=O)(c1cc(c(cc1)OC)F)NC(Cc1cn(c2c1cccc2)C)C(=O)O
Calculated Properties
JChem
Acid pKa
3.2931006
H Acceptors
5
H Donor
2
LogD (pH = 5.5)
0.6240673
LogD (pH = 7.4)
-0.61626154
Log P
2.8134954
Molar Refractivity
100.9729
Polarizability
40.421032
Polar Surface Area
97.63
Rotatable Bonds
6
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