Molecule

ID:90245

General Information
Structure
MolImage
Molecular Formula
C₉H₁₁NO₆S₂
Molecular Mass
293.31674
Exact Mass
293.00277908
Charge
0
InChI
InChI=1S/C9H11NO6S2/c1-15-7(11)5-10-18(13,14)6-3-4-17-8(6)9(12)16-2/h3-4,10H,5H2,1-2H3
InChIKey
KUTKKTKUSGIBPZ-UHFFFAOYSA-N
Canonic Smiles
COC(=O)CNS(=O)(=O)c1ccsc1C(=O)OC
Isomeric Smiles
s1c(c(cc1)S(=O)(=O)NCC(=O)OC)C(=O)OC
Calculated Properties
JChem
Acid pKa
8.690916
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
0.34294054
LogD (pH = 7.4)
0.32403937
Log P
0.34318835
Molar Refractivity
62.8815
Polarizability
25.330112
Polar Surface Area
98.77
Rotatable Bonds
6
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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