COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK395509
Chemical Name: 1-benzyl-4-[(E)-2-(3-nitrophenyl)ethenyl]pyridinium
Smiles: [O-][N+](=O)c1cccc(c1)/C=C/c1cc[n+](cc1)Cc1ccccc1

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Saltdata: Br-
Molecular Weight: 317.37
Empirical Formula: C20H17N2O2

Physical State: Dry powder
Available Amount: 232 mg

Lipinsky:
logP: 0.101
Rotatable bonds: 1
H-donors: 0
H-acceptors: 2
PSA: 49
Number of rings: 3

     

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