Molecule

ID:13005

General Information
Structure
MolImage
Molecular Formula
C₄H₄N₂O₂S
Molecular Mass
144.15176
Exact Mass
143.99934838
Charge
0
InChI
InChI=1S/C4H4N2O2S/c1-2-3(4(7)8)9-6-5-2/h1H3,(H,7,8)
InChIKey
NHHQOYLPBUYHQU-UHFFFAOYSA-N
Canonic Smiles
OC(=O)c1snnc1C
Isomeric Smiles
c1(c(nns1)C)C(=O)O
Calculated Properties
JChem
Acid pKa
2.887285
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-2.0808995
LogD (pH = 7.4)
-3.003179
Log P
0.48337594
Molar Refractivity
31.9878
Polarizability
11.613427
Polar Surface Area
63.08
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
No Data Available
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Molecule Details
References
Bioactivity
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