COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK369058
Chemical Name: 4-acetylbenzene-1,3-diylbis(2,4-dinitrobenzoate)
Smiles: CC(=O)c1ccc(cc1OC(=O)c1ccc(cc1[N+](=O)[O-])[N+](=O)[O-])OC(=O)c1ccc(cc1[N+](=O)[O-])[N+](=O)[O-]

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Molecular Weight: 540.36
Empirical Formula: C22H12N4O13

Physical State: Dry powder
Available Amount: 112 mg

Lipinsky:
logP: 3.265
Rotatable bonds: 7
H-donors: 0
H-acceptors: 13
PSA: 252
Number of rings: 3

     

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