COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: BBL035461
Chemical Name: 3-bromo-5-ethoxy-4-[(4-nitrobenzyl)oxy]benzoicacid
Smiles: CCOc1cc(cc(c1OCc1ccc(cc1)[N+](=O)[O-])Br)C(=O)O

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Molecular Weight: 396.19
Empirical Formula: C16H14BrNO6

Physical State: Dry powder
Available Amount: 2000 mg

Lipinsky:
logP: 4.645
Rotatable bonds: 6
H-donors: 1
H-acceptors: 6
PSA: 101
Number of rings: 2

     

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