COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK870776
Chemical Name: (3E)-3-[(4-methylphenyl)(nitro)methylidene]-2-benzofuran-1(3H)-one
Smiles: Cc1ccc(cc1)/C(=C/1\OC(=O)c2c1cccc2)/[N+](=O)[O-]

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Molecular Weight: 281.27
Empirical Formula: C16H11NO4

Physical State: Dry powder
Available Amount: 125 mg

Lipinsky:
logP: 3.455
Rotatable bonds: 0
H-donors: 0
H-acceptors: 4
PSA: 72
Number of rings: 3

     

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