COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK668847
Chemical Name: 5-(5,8-dinitro-1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)-2-hydroxybenzoicacid
Smiles: [O-][N+](=O)c1cc2cc(cc3c2c(c1)c(=O)n(c3=O)c1ccc(c(c1)C(=O)O)O)[N+](=O)[O-]

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Molecular Weight: 423.3
Empirical Formula: C19H9N3O9

Physical State: Dry powder
Available Amount: 501 mg

Lipinsky:
logP: 2.24
Rotatable bonds: 3
H-donors: 2
H-acceptors: 9
PSA: 186
Number of rings: 4

     

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