COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: BBL019019
Chemical Name: ethyl(2E)-2-cyano-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
Smiles: CCOC(=O)/C(=C/c1ccc(c(c1)OC)O)/C#N

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Molecular Weight: 247.25
Empirical Formula: C13H13NO4

Physical State: Dry powder
Available Amount: 2149 mg

Lipinsky:
logP: 1.588
Rotatable bonds: 6
H-donors: 1
H-acceptors: 4
PSA: 79
Number of rings: 1

     

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