COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK148686
Chemical Name: N'-(4-chloro-2-nitrophenyl)-N-[2,6-dinitro-4-(trifluoromethyl)phenyl]-N-ethylethane-1,2-diamine
Smiles: CCN(c1c(cc(cc1[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-])CCNc1ccc(cc1[N+](=O)[O-])Cl

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Molecular Weight: 477.78
Empirical Formula: C17H15ClF3N5O6

Physical State: Dry powder
Available Amount: 269 mg

Lipinsky:
logP: 6.46
Rotatable bonds: 4
H-donors: 1
H-acceptors: 6
PSA: 152
Number of rings: 2

     

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