COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK027606
Chemical Name: 3-{[(E)-(6-nitro-1,3-benzodioxol-5-yl)methylidene]amino}benzonitrile
Smiles: N#Cc1cccc(c1)/N=C/c1cc2OCOc2cc1[N+](=O)[O-]

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Molecular Weight: 295.25
Empirical Formula: C15H9N3O4

Physical State: Dry powder
Available Amount: 322 mg

Lipinsky:
logP: 2.434
Rotatable bonds: 1
H-donors: 0
H-acceptors: 4
PSA: 100
Number of rings: 3

     

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