COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL124666
Chemical Name: (2E)-2-[(2,5-dimethylphenyl)sulfonyl]-3-ethoxyprop-2-enenitrile
Smiles: CCO/C=C(/S(=O)(=O)c1cc(C)ccc1C)\C#N

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Molecular Weight: 265.33
Empirical Formula: C13H15NO3S

Physical State: Dry powder
Available Amount: 50 mg

Lipinsky:
logP: 2.245
Rotatable bonds: 4
H-donors: 0
H-acceptors: 3
PSA: 75
Number of rings: 1

     

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