COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK675943
Chemical Name: {[2-chloro-5-(trifluoromethyl)benzene-1,3-diyl]bis[imino(2-oxoethane-2,1-diyl)-1H-1,2,4-triazol-4-ium-1,4-diyl]}bis(nitroazanide)
Smiles: O=C(Nc1cc(cc(c1Cl)NC(=O)Cn1nc[n+](c1)[N-][N+](=O)[O-])C(F)(F)F)Cn1nc[n+](c1)[N-][N+](=O)[O-]

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Molecular Weight: 548.79
Empirical Formula: C15H12ClF3N12O6

Physical State: Dry powder
Available Amount: 60 mg

Lipinsky:
logP: 0
Rotatable bonds: 4
H-donors: 2
H-acceptors: 6
PSA: 229
Number of rings: 3

     

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