Molecule

ID:22532

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₂N₂O₂S₂
Molecular Mass
268.35518
Exact Mass
268.03401963
Charge
0
InChI
InChI=1S/C11H12N2O2S2/c1-2-17(14,15)10-9(13-11(12)16-10)8-6-4-3-5-7-8/h3-7H,2H2,1H3,(H2,12,13)
InChIKey
BSQNFSFLIVVYJJ-UHFFFAOYSA-N
Canonic Smiles
CCS(=O)(=O)c1sc(nc1c1ccccc1)N
Isomeric Smiles
c1(nc(sc1S(=O)(=O)CC)N)c1ccccc1
Calculated Properties
JChem
Acid pKa
14.63703
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
2.0357227
LogD (pH = 7.4)
2.03574
Log P
2.0357401
Molar Refractivity
68.0334
Polarizability
28.041521
Polar Surface Area
73.05
Rotatable Bonds
3
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