COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK237515
Chemical Name: (2E)-1-(azepan-1-yl)-3-(1,3-benzodioxol-5-yl)prop-2-en-1-one
Smiles: O=C(N1CCCCCC1)/C=C/c1ccc2c(c1)OCO2

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Molecular Weight: 273.33
Empirical Formula: C16H19NO3

Physical State: Dry powder
Available Amount: 77 mg

Lipinsky:
logP: 3.426
Rotatable bonds: 2
H-donors: 0
H-acceptors: 3
PSA: 38
Number of rings: 3

     

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