COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL495238
Chemical Name: (2E)-3-(1,3-benzodioxol-5-yl)-2-phenylprop-2-enenitrile
Smiles: N#C/C(=C/c1ccc2c(c1)OCO2)/c1ccccc1

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Molecular Weight: 249.27
Empirical Formula: C16H11NO2

Physical State: Dry powder
Available Amount: 818 mg

Lipinsky:
logP: 4.606
Rotatable bonds: 1
H-donors: 0
H-acceptors: 2
PSA: 42
Number of rings: 3

     

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