COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL439640
Chemical Name: 3-methyl-4-(methylcarbamoyl)-1-{[(E)-(4-nitrophenyl)methylidene]amino}-1H-1,2,3-triazol-3-ium-5-olate
Smiles: CNC(=O)c1[n+](C)nn(c1[O-])/N=C/c1ccc(cc1)[N+](=O)[O-]

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Molecular Weight: 304.27
Empirical Formula: C12H12N6O4

Physical State: Dry powder
Available Amount: 459 mg

Lipinsky:
logP: 0
Rotatable bonds: 2
H-donors: 1
H-acceptors: 4
PSA: 132
Number of rings: 2

     

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