Molecule

ID:69795

General Information
Structure
MolImage
Molecular Formula
C₄H₄N₂O₂S
Molecular Mass
144.15176
Exact Mass
143.99934838
Charge
0
InChI
InChI=1S/C4H4N2O2S/c7-2-1-3(8)6-4(9)5-2/h1H,(H3,5,6,7,8,9)
InChIKey
STUQITWXBMZUGY-UHFFFAOYSA-N
Canonic Smiles
Oc1cc(O)nc(n1)S
Isomeric Smiles
c1(nc(cc(n1)O)O)S
Calculated Properties
JChem
Acid pKa
8.406274
H Acceptors
4
H Donor
3
LogD (pH = 5.5)
1.4029946
LogD (pH = 7.4)
1.3642874
Log P
1.4035131
Molar Refractivity
35.2669
Polarizability
12.923484
Polar Surface Area
66.24
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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