COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: BBL005385
Chemical Name: 3-[5-(ethoxycarbonyl)-1-ethyl-2-methyl-1H-3,1-benzimidazol-3-ium-3-yl]propane-1-sulfonate
Smiles: CCOC(=O)c1ccc2c(c1)[n+](CCCS(=O)(=O)[O-])c(n2CC)C

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Molecular Weight: 354.43
Empirical Formula: C16H22N2O5S

Available Amount: 0 mg

Lipinsky:
logP: 0
Rotatable bonds: 7
H-donors: 0
H-acceptors: 5
PSA: 100
Number of rings: 2

     

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