COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL320887
Chemical Name: 2-(3,4-dinitro-1H-pyrazol-1-yl)-6,8-dioxabicyclo[3.2.1]octan-4-one(non-preferredname)
Smiles: O=C1CC(C2OC1OC2)n1cc(c(n1)[N+](=O)[O-])[N+](=O)[O-]

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Molecular Weight: 284.19
Empirical Formula: C9H8N4O7

Physical State: Dry powder
Available Amount: 203 mg

Lipinsky:
logP: 0.214
Rotatable bonds: 1
H-donors: 0
H-acceptors: 7
PSA: 144
Number of rings: 3

     

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