COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK114875
Chemical Name: 2-(2-nitrophenyl)-1-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}ethanone
Smiles: O=C(N1CCN(CC1)c1cccc(c1)C(F)(F)F)Cc1ccccc1[N+](=O)[O-]

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Molecular Weight: 393.37
Empirical Formula: C19H18F3N3O3

Physical State: Dry powder
Available Amount: 311 mg

Lipinsky:
logP: 3.692
Rotatable bonds: 2
H-donors: 0
H-acceptors: 3
PSA: 69
Number of rings: 3

     

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