COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK037421
Chemical Name: (2E)-3-(1,3-benzodioxol-5-yl)-N-(cyanomethyl)prop-2-enamide
Smiles: N#CCNC(=O)/C=C/c1ccc2c(c1)OCO2

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Molecular Weight: 230.22
Empirical Formula: C12H10N2O3

Physical State: Dry powder
Available Amount: 100 mg

Lipinsky:
logP: 1.047
Rotatable bonds: 3
H-donors: 1
H-acceptors: 3
PSA: 71
Number of rings: 2

     

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