COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL487382
Chemical Name: 3-[1-(1,3-benzodioxol-5-yl)-2-nitroethyl]-4-hydroxy-6-methyl-2H-pyran-2-one
Smiles: [O-][N+](=O)CC(c1c(O)cc(oc1=O)C)c1ccc2c(c1)OCO2

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Molecular Weight: 319.27
Empirical Formula: C15H13NO7

Available Amount: 0 mg

Lipinsky:
logP: 2.443
Rotatable bonds: 4
H-donors: 1
H-acceptors: 7
PSA: 110
Number of rings: 3

     

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