COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: BBL024485
Chemical Name: (1R,2R,4R,6R)-3,7,9-trioxatricyclo[4.2.1.0~2,4~]non-5-yl4-methylbenzenesulfonate(non-preferredname)
Smiles: Cc1ccc(cc1)S(=O)(=O)OC1[C@@H]2OC[C@@H](O2)[C@H]2[C@@H]1O2

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Molecular Weight: 298.32
Empirical Formula: C13H14O6S

Physical State: Dry powder
Available Amount: 1938 mg

Lipinsky:
logP: 2.111
Rotatable bonds: 2
H-donors: 0
H-acceptors: 6
PSA: 82
Number of rings: 4

     

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