COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL297666
Chemical Name: 3-(6,7-dinitro-1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)benzoicacid
Smiles: [O-][N+](=O)c1ccc2c3c1c(ccc3c(=O)n(c2=O)c1cccc(c1)C(=O)O)[N+](=O)[O-]

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Molecular Weight: 407.3
Empirical Formula: C19H9N3O8

Physical State: Dry powder
Available Amount: 1028 mg

Lipinsky:
logP: 1.685
Rotatable bonds: 2
H-donors: 1
H-acceptors: 8
PSA: 166
Number of rings: 4

     

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