Molecule

ID:38352

General Information
Structure
MolImage
Molecular Formula
C₅H₆N₂O₂S
Molecular Mass
158.17834
Exact Mass
158.01499844
Charge
0
InChI
InChI=1S/C5H6N2O2S/c1-10(8,9)5-6-3-2-4-7-5/h2-4H,1H3
InChIKey
OIGXNHYFKZCTCH-UHFFFAOYSA-N
Canonic Smiles
CS(=O)(=O)c1ncccn1
Isomeric Smiles
c1(ncccn1)S(=O)(=O)C
Calculated Properties
JChem
Acid pKa
19.070122
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
-0.43117
LogD (pH = 7.4)
-0.43117
Log P
-0.43117
Molar Refractivity
36.6719
Polarizability
14.620213
Polar Surface Area
59.92
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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