COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL054438
Chemical Name: 4-bromo-2-[(E)-{[2-(hydroxymethyl)-1H-3,1-benzimidazol-3-ium-1-yl]imino}methyl]phenolate
Smiles: OCc1[nH+]c2c(n1/N=C/c1cc(Br)ccc1[O-])cccc2

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Molecular Weight: 346.18
Empirical Formula: C15H12BrN3O2

Physical State: Dry powder
Available Amount: 295 mg

Lipinsky:
logP: 4.165
Rotatable bonds: 4
H-donors: 2
H-acceptors: 2
PSA: 74
Number of rings: 3

     

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