COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL432144
Chemical Name: (2Z)-2-[(6-nitro-1,3-benzodioxol-5-yl)methylidene]-1-benzothiophen-3(2H)-one
Smiles: [O-][N+](=O)c1cc2OCOc2cc1/C=C/1\Sc2c(C1=O)cccc2

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Molecular Weight: 327.32
Empirical Formula: C16H9NO5S

Physical State: Dry powder
Available Amount: 104 mg

Lipinsky:
logP: 3.786
Rotatable bonds: 1
H-donors: 0
H-acceptors: 5
PSA: 106
Number of rings: 4

     

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