COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: BBL005722
Chemical Name: 3-(5,6-dimethoxy-2-methyl-1,3-benzothiazol-3-ium-3-yl)propane-1-sulfonate
Smiles: COc1cc2c(cc1OC)sc([n+]2CCCS(=O)(=O)[O-])C

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Molecular Weight: 331.41
Empirical Formula: C13H17NO5S2

Available Amount: 0 mg

Lipinsky:
logP: 0
Rotatable bonds: 5
H-donors: 0
H-acceptors: 5
PSA: 116
Number of rings: 2

     

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