COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL295137
Chemical Name: 5,8-dinitro-1H-benzo[de]isoquinoline-1,3(2H)-dione
Smiles: [O-][N+](=O)c1cc2cc(cc3c2c(c1)c(=O)[nH]c3=O)[N+](=O)[O-]

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Molecular Weight: 287.19
Empirical Formula: C12H5N3O6

Physical State: Dry powder
Available Amount: 70 mg

Lipinsky:
logP: -0.362
Rotatable bonds: 0
H-donors: 1
H-acceptors: 6
PSA: 137
Number of rings: 3

     

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