COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK073549
Chemical Name: 2-bromo-4-nitro-N-[(E)-(6-nitro-1,3-benzodioxol-5-yl)methylidene]aniline
Smiles: Brc1cc(ccc1/N=C/c1cc2OCOc2cc1[N+](=O)[O-])[N+](=O)[O-]

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Molecular Weight: 394.14
Empirical Formula: C14H8BrN3O6

Physical State: Dry powder
Available Amount: 180 mg

Lipinsky:
logP: 3.72
Rotatable bonds: 1
H-donors: 0
H-acceptors: 6
PSA: 122
Number of rings: 3

     

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