Molecule

ID:71706

General Information
Structure
MolImage
Molecular Formula
C₃H₄N₂O₂S
Molecular Mass
132.14106
Exact Mass
131.99934838
Charge
0
InChI
InChI=1S/C3H4N2O2S/c6-2-1-8-3(4-2)5-7/h7H,1H2,(H,4,5,6)
InChIKey
KDNSSLVGLQDCLK-UHFFFAOYSA-N
Canonic Smiles
O/N=C/1\NC(=O)CS1
Isomeric Smiles
S1CC(=O)N/C/1=N\O
Calculated Properties
JChem
Acid pKa
9.396761
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-0.2683394
LogD (pH = 7.4)
-0.27262646
Log P
-0.26828447
Molar Refractivity
29.3613
Polarizability
11.389876
Polar Surface Area
61.69
Rotatable Bonds
0
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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