COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK750919
Chemical Name: 6,7-dinitro-2-[3-(trifluoromethyl)phenyl]-1H-benzo[de]isoquinoline-1,3(2H)-dione
Smiles: [O-][N+](=O)c1ccc2c3c1c(ccc3c(=O)n(c2=O)c1cccc(c1)C(F)(F)F)[N+](=O)[O-]

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Molecular Weight: 431.28
Empirical Formula: C19H8F3N3O6

Physical State: Dry powder
Available Amount: 916 mg

Lipinsky:
logP: 2.58
Rotatable bonds: 0
H-donors: 0
H-acceptors: 6
PSA: 129
Number of rings: 4

     

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