COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK062571
Chemical Name: 1-(4-{[(E)-(6-nitro-1,3-benzodioxol-5-yl)methylidene]amino}phenyl)ethanone
Smiles: [O-][N+](=O)c1cc2OCOc2cc1/C=N/c1ccc(cc1)C(=O)C

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Molecular Weight: 312.28
Empirical Formula: C16H12N2O5

Physical State: Dry powder
Available Amount: 220 mg

Lipinsky:
logP: 2.635
Rotatable bonds: 1
H-donors: 0
H-acceptors: 5
PSA: 93
Number of rings: 3

     

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