Molecule

ID:12268

General Information
Structure
MolImage
Molecular Formula
C₇H₆Cl₂O₂S
Molecular Mass
225.09234
Exact Mass
223.94655579
Charge
0
InChI
InChI=1S/C7H6Cl2O2S/c1-12(10,11)5-2-3-6(8)7(9)4-5/h2-4H,1H3
InChIKey
DNWUINQASFDJJS-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc(cc1Cl)S(=O)(=O)C
Isomeric Smiles
c1(c(cc(cc1)S(=O)(=O)C)Cl)Cl
Calculated Properties
JChem
Acid pKa
19.685863
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.0216436
LogD (pH = 7.4)
2.0216436
Log P
2.0216436
Molar Refractivity
49.6712
Polarizability
20.198772
Polar Surface Area
34.14
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