COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK172011
Chemical Name: 1-{4-[3-(methylamino)-4-nitrophenyl]piperazin-1-yl}ethanone
Smiles: CNc1cc(ccc1[N+](=O)[O-])N1CCN(CC1)C(=O)C

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Molecular Weight: 278.31
Empirical Formula: C13H18N4O3

Physical State: Dry powder
Available Amount: 210 mg

Lipinsky:
logP: 2.217
Rotatable bonds: 0
H-donors: 1
H-acceptors: 3
PSA: 81
Number of rings: 2

     

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