COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK172410
Chemical Name: (2-chlorophenyl){4-[2,6-dinitro-4-(trifluoromethyl)phenyl]piperazin-1-yl}methanone
Smiles: [O-][N+](=O)c1cc(cc(c1N1CCN(CC1)C(=O)c1ccccc1Cl)[N+](=O)[O-])C(F)(F)F

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Molecular Weight: 458.78
Empirical Formula: C18H14ClF3N4O5

Physical State: Dry powder
Available Amount: 213 mg

Lipinsky:
logP: 5.991
Rotatable bonds: 1
H-donors: 0
H-acceptors: 5
PSA: 115
Number of rings: 3

     

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