COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK670670
Chemical Name: 2-bromo-N-{2-oxo-2-[(2E)-2-(2,4,6-trinitrobenzylidene)hydrazinyl]ethyl}benzamide(non-preferredname)
Smiles: O=C(CNC(=O)c1ccccc1Br)N/N=C/c1c(cc(cc1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]

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Molecular Weight: 495.2
Empirical Formula: C16H11BrN6O8

Physical State: Dry powder
Available Amount: 1 mg

Lipinsky:
logP: 3.045
Rotatable bonds: 3
H-donors: 2
H-acceptors: 8
PSA: 208
Number of rings: 2

     

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