COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL433769
Chemical Name: 4-[2-(4-methylphenyl)-2-oxoethyl]-5-nitrobenzene-1,2-dicarbonitrile
Smiles: N#Cc1cc(CC(=O)c2ccc(cc2)C)c(cc1C#N)[N+](=O)[O-]

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Molecular Weight: 305.29
Empirical Formula: C17H11N3O3

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 1.812
Rotatable bonds: 2
H-donors: 0
H-acceptors: 3
PSA: 110
Number of rings: 2

     

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