COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK396278
Chemical Name: 3-(6-methoxy-2,5-dimethyl-1,3-benzothiazol-3-ium-3-yl)propane-1-sulfonate
Smiles: COc1cc2sc([n+](c2cc1C)CCCS(=O)(=O)[O-])C

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Molecular Weight: 315.41
Empirical Formula: C13H17NO4S2

Physical State: Dry powder
Available Amount: 305 mg

Lipinsky:
logP: 0
Rotatable bonds: 4
H-donors: 0
H-acceptors: 4
PSA: 106
Number of rings: 2

     

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