Molecule

ID:59921

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₀N₂O₄S₂
Molecular Mass
298.3381
Exact Mass
298.00819881
Charge
0
InChI
InChI=1S/C11H10N2O4S2/c1-7-9(10(14)15)18-11(12-7)13-19(16,17)8-5-3-2-4-6-8/h2-6H,1H3,(H,12,13)(H,14,15)
InChIKey
BJBILUVLLDIVBX-UHFFFAOYSA-N
Canonic Smiles
OC(=O)c1sc(nc1C)NS(=O)(=O)c1ccccc1
Isomeric Smiles
S(=O)(=O)(Nc1nc(c(s1)C(=O)O)C)c1ccccc1
Calculated Properties
JChem
Acid pKa
3.105114
H Acceptors
5
H Donor
2
LogD (pH = 5.5)
-0.65784115
LogD (pH = 7.4)
-2.2563224
Log P
1.7253463
Molar Refractivity
69.2037
Polarizability
27.246855
Polar Surface Area
96.36
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