Molecule

ID:74681

General Information
Structure
MolImage
Molecular Formula
C₁₁H₈ClNO₄S₂
Molecular Mass
317.76852
Exact Mass
316.95832742
Charge
0
InChI
InChI=1S/C11H8ClNO4S2/c12-6-1-3-7(4-2-6)19(16,17)8-5-18-10(9(8)13)11(14)15/h1-5H,13H2,(H,14,15)
InChIKey
MNBSBKFCJJWHEB-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc(cc1)S(=O)(=O)c1csc(c1N)C(=O)O
Isomeric Smiles
s1c(c(c(c1)S(=O)(=O)c1ccc(cc1)Cl)N)C(=O)O
Calculated Properties
JChem
Acid pKa
4.0423737
H Acceptors
5
H Donor
2
LogD (pH = 5.5)
1.4548194
LogD (pH = 7.4)
-0.21059959
Log P
2.9236634
Molar Refractivity
73.2415
Polarizability
28.583078
Polar Surface Area
97.46
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