COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK695193
Chemical Name: 1,1'-(E)-ethene-1,2-diylbis(2,4,6-trinitrobenzene)
Smiles: [O-][N+](=O)c1cc(cc(c1/C=C/c1c(cc(cc1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]

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Molecular Weight: 450.23
Empirical Formula: C14H6N6O12

Physical State: Dry powder
Available Amount: 60 mg

Lipinsky:
logP: 2.218
Rotatable bonds: 0
H-donors: 0
H-acceptors: 12
PSA: 274
Number of rings: 2

     

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