Molecule

ID:77430

General Information
Structure
MolImage
Molecular Formula
C₅H₉ClO₄S₂
Molecular Mass
232.70556
Exact Mass
231.96307845
Charge
0
InChI
InChI=1S/C5H9ClO4S2/c1-4-2-11(7,8)3-5(4)12(6,9)10/h4-5H,2-3H2,1H3
InChIKey
IKKVXKCTFHLODH-UHFFFAOYSA-N
Canonic Smiles
CC1CS(=O)(=O)CC1S(=O)(=O)Cl
Isomeric Smiles
S1(=O)(=O)CC(C)C(C1)S(=O)(=O)Cl
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
-0.6311917
LogD (pH = 7.4)
-0.6311917
Log P
-0.6311917
Molar Refractivity
45.3182
Polarizability
19.726562
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
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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