Molecule

ID:56040

General Information
Structure
Molecular Formula
C₇H₅ClN₂O₄S
Molecular Mass
248.6436
Exact Mass
247.96585533
Charge
0
InChI
InChI=1S/C7H5ClN2O4S/c1-13-4-2-3-5(15(8,11)12)7-6(4)9-14-10-7/h2-3H,1H3
InChIKey
TZIXZEFXYVOSTH-UHFFFAOYSA-N
Canonic Smiles
COc1ccc(c2c1non2)S(=O)(=O)Cl
Isomeric Smiles
c1c(c2c(c(c1)S(=O)(=O)Cl)non2)OC
Calculated Properties
JChem
H Acceptors
5
H Donor
0
LogD (pH = 5.5)
1.1119002
LogD (pH = 7.4)
1.1119002
Log P
1.1119002
Molar Refractivity
52.7922
Polarizability
21.713087
Polar Surface Area
82.29
Rotatable Bonds
2
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