Molecule

ID:135526

General Information
Structure
MolImage
Molecular Formula
C₇H₇ClO₄S₂
Molecular Mass
256.69638968
Exact Mass
255.95413806
Charge
0
InChI
InChI=1S/C7H7ClO4S2/c1-2-12-7(9)6-5(3-4-13-6)14(8,10)11/h3-4H,2H2,1H3/i6+1,7+1
InChIKey
SHWWGFVYWZNBHA-AKZCFXPHSA-N
Canonic Smiles
CCO[13C](=O)[13c]1sccc1S(=O)(=O)Cl
Isomeric Smiles
CCO[13C](=O)[13c]1c(ccs1)S(=O)(=O)Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
2.1927152
LogD (pH = 7.4)
2.1927152
Log P
2.1927152
Molar Refractivity
53.916
Polarizability
21.588223
Polar Surface Area
60.44
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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