COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL442169
Chemical Name: 4-(ethoxycarbonyl)-3-methyl-1-{[(E)-(4-nitrophenyl)methylidene]amino}-1H-1,2,3-triazol-3-ium-5-olate
Smiles: CCOC(=O)c1[n+](C)nn(c1[O-])/N=C/c1ccc(cc1)[N+](=O)[O-]

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Molecular Weight: 319.28
Empirical Formula: C13H13N5O5

Physical State: Dry powder
Available Amount: 166 mg

Lipinsky:
logP: 0
Rotatable bonds: 4
H-donors: 0
H-acceptors: 5
PSA: 129
Number of rings: 2

     

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