Molecule

ID:76896

General Information
Structure
MolImage
Molecular Formula
C₅H₆N₂O₃S
Molecular Mass
174.17774
Exact Mass
174.00991306
Charge
0
InChI
InChI=1S/C5H6N2O3S/c6-11(9,10)5-3-7-2-1-4(5)8/h1-3H,(H,7,8)(H2,6,9,10)
InChIKey
RBJLOTUNDWHGJH-UHFFFAOYSA-N
Canonic Smiles
Oc1ccncc1S(=O)(=O)N
Isomeric Smiles
n1cc(c(cc1)O)S(=O)(=O)N
Calculated Properties
JChem
Acid pKa
8.369544
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
-0.9425234
LogD (pH = 7.4)
-0.98423964
Log P
-0.94196117
Molar Refractivity
38.0399
Polarizability
15.451145
Polar Surface Area
93.28
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
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Molecule Details
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References
Bioactivity
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