COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK093999
Chemical Name: 2-methyl-1-phenyl-1H-3,1-benzimidazol-3-ium2,4,6-trinitrophenolate
Smiles: [O-][N+](=O)c1cc([N+](=O)[O-])c(c(c1)[N+](=O)[O-])[O-].Cc1[nH+]c2c(n1c1ccccc1)cccc2

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Molecular Weight: 437.37
Empirical Formula: C20H15N5O7

Physical State: Dry powder
Available Amount: 123 mg

Lipinsky:
logP: 0
Rotatable bonds: 0
H-donors: 1
H-acceptors: 7
PSA: 179
Number of rings: 4

     

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