Molecule

ID:11166

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₂N₄O₂S₂
Molecular Mass
284.35788
Exact Mass
284.04016764
Charge
0
InChI
InChI=1S/C10H12N4O2S2/c1-2-9-12-13-10(17-9)14-18(15,16)8-5-3-7(11)4-6-8/h3-6H,2,11H2,1H3,(H,13,14)
InChIKey
SVYBEBLNQGDRHF-UHFFFAOYSA-N
Canonic Smiles
CCc1nnc(s1)NS(=O)(=O)c1ccc(cc1)N
Isomeric Smiles
n1nc(sc1CC)NS(=O)(=O)c1ccc(cc1)N
Calculated Properties
JChem
Acid pKa
6.7043595
H Acceptors
5
H Donor
2
LogD (pH = 5.5)
0.89153427
LogD (pH = 7.4)
0.3342501
Log P
0.9148818
Molar Refractivity
71.4627
Polarizability
26.956839
Polar Surface Area
97.97
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