COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL320848
Chemical Name: (2E)-1-(2-hydroxy-4-methylphenyl)-3-(6-nitro-4H-1,3-benzodioxin-8-yl)prop-2-en-1-one
Smiles: Cc1ccc(c(c1)O)C(=O)/C=C/c1cc(cc2c1OCOC2)[N+](=O)[O-]

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Molecular Weight: 341.32
Empirical Formula: C18H15NO6

Available Amount: 0 mg

Lipinsky:
logP: 3.729
Rotatable bonds: 4
H-donors: 1
H-acceptors: 6
PSA: 101
Number of rings: 3

     

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