COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK683004
Chemical Name: 4-(3,5-dinitro-1H-1,2,4-triazol-1-yl)butan-2-one
Smiles: CC(=O)CCn1nc(nc1[N+](=O)[O-])[N+](=O)[O-]

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Molecular Weight: 229.15
Empirical Formula: C6H7N5O5

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: -0.089
Rotatable bonds: 3
H-donors: 0
H-acceptors: 5
PSA: 139
Number of rings: 1

     

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