Molecule

ID:82452

General Information
Structure
MolImage
Molecular Formula
C₇H₇ClO₄S₂
Molecular Mass
254.71108
Exact Mass
253.94742838
Charge
0
InChI
InChI=1S/C7H7ClO4S2/c1-12-7(9)6-5(8)4(3-13-6)14(2,10)11/h3H,1-2H3
InChIKey
VQLZEASKJWEKDX-UHFFFAOYSA-N
Canonic Smiles
COC(=O)c1scc(c1Cl)S(=O)(=O)C
Isomeric Smiles
S(=O)(=O)(c1csc(c1Cl)C(=O)OC)C
Calculated Properties
JChem
Acid pKa
18.881365
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
1.3339573
LogD (pH = 7.4)
1.3339573
Log P
1.3339573
Molar Refractivity
53.7816
Polarizability
21.619593
Polar Surface Area
60.44
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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