Molecule

ID:85920

General Information
Structure
MolImage
Molecular Formula
C₅H₆N₂O₂S
Molecular Mass
158.17834
Exact Mass
158.01499844
Charge
0
InChI
InChI=1S/C5H6N2O2S/c1-2-9-5(8)4-3-10-7-6-4/h3H,2H2,1H3
InChIKey
FBUHTNOJXVICFM-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)c1csnn1
Isomeric Smiles
n1nc(cs1)C(=O)OCC
Calculated Properties
JChem
Acid pKa
19.955355
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
1.1081185
LogD (pH = 7.4)
1.1081187
Log P
1.1081187
Molar Refractivity
36.7579
Polarizability
13.708172
Polar Surface Area
52.08
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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