COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK730409
Chemical Name: 2-{[(E)-(6-nitro-1,3-benzodioxol-5-yl)methylidene]amino}benzonitrile
Smiles: N#Cc1ccccc1/N=C/c1cc2OCOc2cc1[N+](=O)[O-]

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Molecular Weight: 295.25
Empirical Formula: C15H9N3O4

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 3.064
Rotatable bonds: 1
H-donors: 0
H-acceptors: 4
PSA: 100
Number of rings: 3

     

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