COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL040715
Chemical Name: 2-[(E)-{[2-(hydroxymethyl)-1H-3,1-benzimidazol-3-ium-1-yl]imino}methyl]-4-nitrophenolate
Smiles: OCc1[nH+]c2c(n1/N=C/c1cc(ccc1[O-])[N+](=O)[O-])cccc2

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Molecular Weight: 312.28
Empirical Formula: C15H12N4O4

Physical State: Dry powder
Available Amount: 312 mg

Lipinsky:
logP: 3.226
Rotatable bonds: 4
H-donors: 2
H-acceptors: 4
PSA: 120
Number of rings: 3

     

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