COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK392837
Chemical Name: ethyl(2E)-3-(1,3-benzodioxol-5-yl)-2-cyanoprop-2-enoate
Smiles: CCOC(=O)/C(=C/c1ccc2c(c1)OCO2)/C#N

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Molecular Weight: 245.23
Empirical Formula: C13H11NO4

Physical State: Dry powder
Available Amount: 2028 mg

Lipinsky:
logP: 2.481
Rotatable bonds: 4
H-donors: 0
H-acceptors: 4
PSA: 68
Number of rings: 2

     

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