COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK864764
Chemical Name: 5-hydroxy-7-(4-nitrophenyl)-1,3-benzoxathiol-2-one
Smiles: Oc1cc2sc(=O)oc2c(c1)c1ccc(cc1)[N+](=O)[O-]

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Molecular Weight: 289.27
Empirical Formula: C13H7NO5S

Physical State: Dry powder
Available Amount: 142 mg

Lipinsky:
logP: 2.958
Rotatable bonds: 1
H-donors: 1
H-acceptors: 5
PSA: 117
Number of rings: 3

     

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