Molecule

ID:43244

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₂O₅S₂
Molecular Mass
276.32928
Exact Mass
276.01261548
Charge
0
InChI
InChI=1S/C10H12O5S2/c1-16(12,13)7-10(11)8-3-5-9(6-4-8)17(2,14)15/h3-6H,7H2,1-2H3
InChIKey
YCFVVANKXJSWQY-UHFFFAOYSA-N
Canonic Smiles
O=C(c1ccc(cc1)S(=O)(=O)C)CS(=O)(=O)C
Isomeric Smiles
S(=O)(=O)(c1ccc(C(=O)CS(=O)(=O)C)cc1)C
Calculated Properties
JChem
Acid pKa
9.85416
H Acceptors
5
H Donor
0
LogD (pH = 5.5)
-0.77189237
LogD (pH = 7.4)
-0.7733947
Log P
-0.7718732
Molar Refractivity
64.1893
Polarizability
26.166233
Polar Surface Area
85.35
Rotatable Bonds
4
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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