Molecule

ID:74789

General Information
Structure
Molecular Formula
C₄H₇ClO₅S₂
Molecular Mass
234.67838
Exact Mass
233.942343
Charge
0
InChI
InChI=1S/C4H7ClO5S2/c5-12(9,10)4-2-11(7,8)1-3(4)6/h3-4,6H,1-2H2
InChIKey
VQTMWFFLLVODHT-UHFFFAOYSA-N
Canonic Smiles
OC1CS(=O)(=O)CC1S(=O)(=O)Cl
Isomeric Smiles
S1(=O)(=O)CC(O)C(C1)S(=O)(=O)Cl
Calculated Properties
JChem
Acid pKa
13.263373
H Acceptors
5
H Donor
1
LogD (pH = 5.5)
-1.8008099
LogD (pH = 7.4)
-1.8008105
Log P
-1.8008099
Molar Refractivity
41.5853
Polarizability
18.651917
Polar Surface Area
88.51
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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