Molecule

ID:40077

General Information
Structure
MolImage
Molecular Formula
C₃H₄N₄OS
Molecular Mass
144.15506
Exact Mass
144.01058177
Charge
0
InChI
InChI=1S/C3H4N4OS/c4-5-3(8)2-1-9-7-6-2/h1H,4H2,(H,5,8)
InChIKey
GBBQRNGEDIWRJI-UHFFFAOYSA-N
Canonic Smiles
NNC(=O)c1csnn1
Isomeric Smiles
c1(nnsc1)C(=O)NN
Calculated Properties
JChem
Acid pKa
11.143202
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
-0.4984058
LogD (pH = 7.4)
-0.49807623
Log P
-0.49800164
Molar Refractivity
33.5465
Polarizability
11.758725
Polar Surface Area
80.9
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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