COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: BBL026777
Chemical Name: 2-(6,7-dinitro-1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)butanoicacid
Smiles: CCC(n1c(=O)c2ccc(c3c2c(c1=O)ccc3[N+](=O)[O-])[N+](=O)[O-])C(=O)O

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Molecular Weight: 373.28
Empirical Formula: C16H11N3O8

Available Amount: 0 mg

Lipinsky:
logP: 0.773
Rotatable bonds: 3
H-donors: 1
H-acceptors: 8
PSA: 166
Number of rings: 3

     

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