Molecule

ID:34696

General Information
Structure
MolImage
Molecular Formula
C₇H₆Cl₂O₃S
Molecular Mass
241.09174
Exact Mass
239.94147041
Charge
0
InChI
InChI=1S/C7H6Cl2O3S/c1-12-6-3-2-5(8)4-7(6)13(9,10)11/h2-4H,1H3
InChIKey
FCJGLIMDVOTBLO-UHFFFAOYSA-N
Canonic Smiles
COc1ccc(cc1S(=O)(=O)Cl)Cl
Isomeric Smiles
S(=O)(=O)(c1cc(ccc1OC)Cl)Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
2.3659222
LogD (pH = 7.4)
2.3659222
Log P
2.3659222
Molar Refractivity
51.5202
Polarizability
20.917757
Polar Surface Area
43.37
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