COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: BBL032805
Chemical Name: 3-(5-bromo-3-nitro-1H-1,2,4-triazol-1-yl)propanenitrile
Smiles: [O-][N+](=O)c1nn(c(n1)Br)CCC#N

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Molecular Weight: 246.02
Empirical Formula: C5H4BrN5O2

Physical State: Dry powder
Available Amount: 1013 mg

Lipinsky:
logP: 0.627
Rotatable bonds: 2
H-donors: 0
H-acceptors: 2
PSA: 100
Number of rings: 1

     

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