COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL434788
Chemical Name: 4-[(1E)-1-chloro-1-(4-methylphenyl)-3-oxoprop-1-en-2-yl]-5-nitrobenzene-1,2-dicarbonitrile
Smiles: O=C/C(=C(\c1ccc(cc1)C)/Cl)/c1cc(C#N)c(cc1[N+](=O)[O-])C#N

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Molecular Weight: 351.75
Empirical Formula: C18H10ClN3O3

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 3.003
Rotatable bonds: 2
H-donors: 0
H-acceptors: 3
PSA: 110
Number of rings: 2

     

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