COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL134539
Chemical Name: ethyl(2E)-2-cyano-3-ethoxybut-2-enoate
Smiles: CCO/C(=C(/C(=O)OCC)\C#N)/C

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Molecular Weight: 183.21
Empirical Formula: C9H13NO3

Physical State: Dry powder
Available Amount: 1238 mg

Lipinsky:
logP: 1.252
Rotatable bonds: 5
H-donors: 0
H-acceptors: 3
PSA: 59
Number of rings: 0

     

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