COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK908268
Chemical Name: 7-(2-methylphenyl)-2-oxo-1,3-benzoxathiol-5-yl4-nitrobenzoate
Smiles: O=c1oc2c(s1)cc(cc2c1ccccc1C)OC(=O)c1ccc(cc1)[N+](=O)[O-]

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Molecular Weight: 407.4
Empirical Formula: C21H13NO6S

Physical State: Dry powder
Available Amount: 102 mg

Lipinsky:
logP: 5.88
Rotatable bonds: 3
H-donors: 0
H-acceptors: 6
PSA: 123
Number of rings: 4

     

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