Molecule

ID:18205

General Information
Structure
MolImage
Molecular Formula
C₄H₅ClO₄S₂
Molecular Mass
216.6631
Exact Mass
215.93177832
Charge
0
InChI
InChI=1S/C4H5ClO4S2/c5-11(8,9)4-1-2-10(6,7)3-4/h1H,2-3H2
InChIKey
CMQNDSUSUMJBLH-UHFFFAOYSA-N
Canonic Smiles
O=S1(=O)CC=C(C1)S(=O)(=O)Cl
Isomeric Smiles
S(=O)(=O)(C1=CCS(=O)(=O)C1)Cl
Calculated Properties
JChem
Acid pKa
11.226495
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
-1.0618819
LogD (pH = 7.4)
-1.0619458
Log P
-1.0618812
Molar Refractivity
42.4086
Polarizability
17.670628
Polar Surface Area
68.28
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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