COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL296082
Chemical Name: 3-hydroxy-1-[2-(4-nitrophenyl)-2-oxoethyl]-1-azoniabicyclo[2.2.2]octane
Smiles: OC1C[N+]2(CCC1CC2)CC(=O)c1ccc(cc1)[N+](=O)[O-]

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Saltdata: Br-
Molecular Weight: 291.33
Empirical Formula: C15H19N2O4

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: -2.033
Rotatable bonds: 3
H-donors: 1
H-acceptors: 4
PSA: 83
Number of rings: 4

     

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