Molecule

ID:56041

General Information
Structure
MolImage
Molecular Formula
C₇H₅ClN₂O₃S
Molecular Mass
232.6442
Exact Mass
231.97094071
Charge
0
InChI
InChI=1S/C7H5ClN2O3S/c1-4-2-3-5-6(10-13-9-5)7(4)14(8,11)12/h2-3H,1H3
InChIKey
PNFIAAOCDDIDNX-UHFFFAOYSA-N
Canonic Smiles
Cc1ccc2c(c1S(=O)(=O)Cl)non2
Isomeric Smiles
c1cc2c(c(c1C)S(=O)(=O)Cl)non2
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
1.782993
LogD (pH = 7.4)
1.782993
Log P
1.782993
Molar Refractivity
51.3702
Polarizability
20.894041
Polar Surface Area
73.06
Rotatable Bonds
1
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