COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK471601
Chemical Name: 1-(3,5-dimethyl-1H-pyrazol-1-yl)-2-(3-methyl-4-nitrophenoxy)butan-1-one
Smiles: CCC(C(=O)n1nc(cc1C)C)Oc1ccc(c(c1)C)[N+](=O)[O-]

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Molecular Weight: 317.34
Empirical Formula: C16H19N3O4

Physical State: Liquid
Available Amount: 5 mg

Lipinsky:
logP: 4.306
Rotatable bonds: 4
H-donors: 0
H-acceptors: 4
PSA: 89
Number of rings: 2

     

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