COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK547699
Chemical Name: 5-bromo-1-(but-2-yn-1-yl)-3-nitro-1H-1,2,4-triazole
Smiles: [O-][N+](=O)c1nn(c(n1)Br)CC#CC

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Molecular Weight: 245.04
Empirical Formula: C6H5BrN4O2

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 1.827
Rotatable bonds: 1
H-donors: 0
H-acceptors: 2
PSA: 76
Number of rings: 1

     

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