Molecule

ID:113448

General Information
Structure
MolImage
Molecular Formula
C₄H₇ClO₄S₂
Molecular Mass
218.67898
Exact Mass
217.94742838
Charge
0
InChI
InChI=1S/C4H7ClO4S2/c5-11(8,9)4-1-2-10(6,7)3-4/h4H,1-3H2
InChIKey
AOAOPMCGCFWIHW-UHFFFAOYSA-N
Canonic Smiles
O=S1(=O)CCC(C1)S(=O)(=O)Cl
Isomeric Smiles
S(=O)(=O)(C1CS(=O)(=O)CC1)Cl
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
-1.1105152
LogD (pH = 7.4)
-1.1105152
Log P
-1.1105152
Molar Refractivity
40.9018
Polarizability
17.927786
Polar Surface Area
68.28
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