COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK808808
Chemical Name: N-{2,2,2-trichloro-1-[(3-nitrophenyl)amino]ethyl}butanamide
Smiles: CCCC(=O)NC(C(Cl)(Cl)Cl)Nc1cccc(c1)[N+](=O)[O-]

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Molecular Weight: 354.62
Empirical Formula: C12H14Cl3N3O3

Physical State: Dry powder
Available Amount: 96 mg

Lipinsky:
logP: 3.91
Rotatable bonds: 4
H-donors: 2
H-acceptors: 3
PSA: 86
Number of rings: 1

     

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