COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK138138
Chemical Name: 3-[(6-nitro-1,3-benzodioxol-5-yl)methylidene]-1,5-dioxaspiro[5.5]undecane-2,4-dione
Smiles: O=C1OC2(CCCCC2)OC(=O)C1=Cc1cc2OCOc2cc1[N+](=O)[O-]

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Molecular Weight: 361.31
Empirical Formula: C17H15NO8

Physical State: Dry powder
Available Amount: 17 mg

Lipinsky:
logP: 1.991
Rotatable bonds: 1
H-donors: 0
H-acceptors: 8
PSA: 116
Number of rings: 4

     

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