Molecule

ID:28384

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₁ClF₂N₂O₂S
Molecular Mass
332.7534464
Exact Mass
332.01978272
Charge
0
InChI
InChI=1S/C13H11ClF2N2O2S/c1-2-21(19,20)13-17-10(7-11(18-13)12(15)16)8-3-5-9(14)6-4-8/h3-7,12H,2H2,1H3
InChIKey
RGDGFPCXVBCEDF-UHFFFAOYSA-N
Canonic Smiles
CCS(=O)(=O)c1nc(cc(n1)c1ccc(cc1)Cl)C(F)F
Isomeric Smiles
c1(S(=O)(=O)CC)nc(cc(n1)c1ccc(cc1)Cl)C(F)F
Calculated Properties
JChem
Acid pKa
19.53885
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
3.2609916
LogD (pH = 7.4)
3.2609916
Log P
3.2609916
Molar Refractivity
75.6368
Polarizability
30.548662
Polar Surface Area
59.92
Rotatable Bonds
4
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