COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL335613
Chemical Name: 2,2',2''-[(2,4,6-trinitrobenzene-1,3,5-triyl)triimino]triethanol
Smiles: OCCNc1c([N+](=O)[O-])c(NCCO)c(c(c1[N+](=O)[O-])NCCO)[N+](=O)[O-]

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Molecular Weight: 390.31
Empirical Formula: C12H18N6O9

Physical State: Dry powder
Available Amount: 167 mg

Lipinsky:
logP: 5.949
Rotatable bonds: 9
H-donors: 6
H-acceptors: 9
PSA: 234
Number of rings: 1

     

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