COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL295095
Chemical Name: 6,7-dinitro-2-(4H-1,2,4-triazol-4-yl)-1H-benzo[de]isoquinoline-1,3(2H)-dione
Smiles: [O-][N+](=O)c1ccc2c3c1c(ccc3c(=O)n(c2=O)n1cnnc1)[N+](=O)[O-]

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Molecular Weight: 354.24
Empirical Formula: C14H6N6O6

Physical State: Dry powder
Available Amount: 514 mg

Lipinsky:
logP: -0.441
Rotatable bonds: 0
H-donors: 0
H-acceptors: 6
PSA: 159
Number of rings: 4

     

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