COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK670494
Chemical Name: 5,8-dinitro-2-(3-nitrophenyl)-1H-benzo[de]isoquinoline-1,3(2H)-dione
Smiles: O=c1n(c2cccc(c2)[N+](=O)[O-])c(=O)c2c3c1cc(cc3cc(c2)[N+](=O)[O-])[N+](=O)[O-]

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Molecular Weight: 408.28
Empirical Formula: C18H8N4O8

Physical State: Dry powder
Available Amount: 402 mg

Lipinsky:
logP: 2.127
Rotatable bonds: 0
H-donors: 0
H-acceptors: 8
PSA: 174
Number of rings: 4

     

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