Molecule

ID:65308

General Information
Structure
MolImage
Molecular Formula
C₅H₇N₃O₂S
Molecular Mass
173.19298
Exact Mass
173.02589748
Charge
0
InChI
InChI=1S/C5H7N3O2S/c1-4-3-6-8-5(7-4)11(2,9)10/h3H,1-2H3
InChIKey
OBHDYFWNXDBLSG-UHFFFAOYSA-N
Canonic Smiles
Cc1cnnc(n1)S(=O)(=O)C
Isomeric Smiles
c1nnc(nc1C)S(=O)(=O)C
Calculated Properties
JChem
Acid pKa
18.963709
H Acceptors
5
H Donor
0
LogD (pH = 5.5)
-1.2795697
LogD (pH = 7.4)
-1.2795697
Log P
-1.2795697
Molar Refractivity
41.1267
Polarizability
15.556446
Polar Surface Area
72.81
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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