COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK021284
Chemical Name: 1-(3-{[(E)-(6-nitro-1,3-benzodioxol-5-yl)methylidene]amino}phenyl)ethanone
Smiles: CC(=O)c1cccc(c1)/N=C/c1cc2OCOc2cc1[N+](=O)[O-]

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Molecular Weight: 312.28
Empirical Formula: C16H12N2O5

Physical State: Dry powder
Available Amount: 103 mg

Lipinsky:
logP: 2.325
Rotatable bonds: 2
H-donors: 0
H-acceptors: 5
PSA: 93
Number of rings: 3

     

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