COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL290464
Chemical Name: 2,2-dimethyl-5-(4-nitrobenzylidene)-1,3-dioxane-4,6-dione
Smiles: O=C1OC(C)(C)OC(=O)C1=Cc1ccc(cc1)[N+](=O)[O-]

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Molecular Weight: 277.23
Empirical Formula: C13H11NO6

Physical State: Dry powder
Available Amount: 238 mg

Lipinsky:
logP: 0.645
Rotatable bonds: 0
H-donors: 0
H-acceptors: 6
PSA: 98
Number of rings: 2

     

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