COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: BBL004062
Chemical Name: 1-(5-bromo-3-nitro-1H-1,2,4-triazol-1-yl)-3,3-dimethylbutan-2-one
Smiles: O=C(C(C)(C)C)Cn1nc(nc1Br)[N+](=O)[O-]

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Molecular Weight: 291.1
Empirical Formula: C8H11BrN4O3

Physical State: Dry powder
Available Amount: 2537 mg

Lipinsky:
logP: 1.977
Rotatable bonds: 2
H-donors: 0
H-acceptors: 3
PSA: 93
Number of rings: 1

     

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