COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL050643
Chemical Name: 2-{(E)-[(5,6-dimethyl-1H-benzimidazol-3-ium-1-yl)imino]methyl}-4-nitrophenolate
Smiles: [O-]c1ccc(cc1/C=N/n1c[nH+]c2c1cc(C)c(c2)C)[N+](=O)[O-]

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Molecular Weight: 310.31
Empirical Formula: C16H14N4O3

Physical State: Dry powder
Available Amount: 210 mg

Lipinsky:
logP: 4.688
Rotatable bonds: 2
H-donors: 1
H-acceptors: 3
PSA: 100
Number of rings: 3

     

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