COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK836846
Chemical Name: 4,4,4-trichloro-1-(4-nitrophenyl)-3-(1H-1,2,4-triazol-1-yl)butan-1-one
Smiles: O=C(c1ccc(cc1)[N+](=O)[O-])CC(C(Cl)(Cl)Cl)n1ncnc1

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Molecular Weight: 363.59
Empirical Formula: C12H9Cl3N4O3

Physical State: Dry powder
Available Amount: 224 mg

Lipinsky:
logP: 3.022
Rotatable bonds: 3
H-donors: 0
H-acceptors: 3
PSA: 93
Number of rings: 2

     

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