Molecule

ID:73359

General Information
Structure
MolImage
Molecular Formula
C₇H₈ClNO₂S
Molecular Mass
205.66192
Exact Mass
204.99642718
Charge
0
InChI
InChI=1S/C7H8ClNO2S/c1-5-6(8)3-2-4-7(5)12(9,10)11/h2-4H,1H3,(H2,9,10,11)
InChIKey
JHIDHTQDDZCASD-UHFFFAOYSA-N
Canonic Smiles
Clc1cccc(c1C)S(=O)(=O)N
Isomeric Smiles
Clc1cccc(c1C)S(=O)(=O)N
Calculated Properties
JChem
Acid pKa
9.7609005
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.6967216
LogD (pH = 7.4)
1.6950706
Log P
1.6967427
Molar Refractivity
48.0619
Polarizability
19.308722
Polar Surface Area
60.16
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