Molecule

ID:59182

General Information
Structure
MolImage
Molecular Formula
C₆H₈N₂O₃S
Molecular Mass
188.20432
Exact Mass
188.02556313
Charge
0
InChI
InChI=1S/C6H8N2O3S/c7-5-3-4(12(8,10)11)1-2-6(5)9/h1-3,9H,7H2,(H2,8,10,11)
InChIKey
AVQFHKYAVVQYQO-UHFFFAOYSA-N
Canonic Smiles
Oc1ccc(cc1N)S(=O)(=O)N
Isomeric Smiles
c1c(cc(c(c1)O)N)S(=O)(=O)N
Calculated Properties
JChem
Acid pKa
9.095494
H Acceptors
4
H Donor
3
LogD (pH = 5.5)
-0.55367076
LogD (pH = 7.4)
-0.5618096
Log P
-0.55321467
Molar Refractivity
44.8972
Polarizability
17.445948
Polar Surface Area
106.41
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
Molecule Details
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References
Bioactivity
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