COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL170706
Chemical Name: ethyl(2Z)-2-benzylidene-3-oxobutanoate
Smiles: CCOC(=O)/C(=C\c1ccccc1)/C(=O)C

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Molecular Weight: 218.25
Empirical Formula: C13H14O3

Physical State: Dry powder
Available Amount: 50 mg

Lipinsky:
logP: 2.21
Rotatable bonds: 4
H-donors: 0
H-acceptors: 3
PSA: 43
Number of rings: 1

     

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