COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: BBL000777
Chemical Name: ethyl(2E)- azepan- 2- ylidene(cyano)ethanoate
Smiles: CCOC(=O)/C(=C/1\CCCCCN1)/C#N

Download SD file Download MOL file View 3D-structure Show MSDS

Molecular Weight: 208.26
Empirical Formula: C11H16N2O2

Physical State: Dry powder
Available Amount: 6451 mg

Lipinsky:
logP: 1.039
Rotatable bonds: 3
H-donors: 1
H-acceptors: 2
PSA: 62
Number of rings: 1

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