COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK701574
Chemical Name: (2E)-1-(4-bromophenyl)-4,4,4-trifluoro-2-[2-(3-nitrophenyl)hydrazinylidene]butane-1,3-dione
Smiles: Brc1ccc(cc1)C(=O)/C(=N\Nc1cccc(c1)[N+](=O)[O-])/C(=O)C(F)(F)F

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Molecular Weight: 444.16
Empirical Formula: C16H9BrF3N3O4

Physical State: Dry powder
Available Amount: 337 mg

Lipinsky:
logP: 5.448
Rotatable bonds: 2
H-donors: 1
H-acceptors: 4
PSA: 104
Number of rings: 2

     

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