COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK099508
Chemical Name: (2E)-3-(1,3-benzodioxol-5-yl)-N,N-bis(cyanomethyl)prop-2-enamide
Smiles: N#CCN(C(=O)/C=C/c1ccc2c(c1)OCO2)CC#N

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Molecular Weight: 269.26
Empirical Formula: C14H11N3O3

Physical State: Dry powder
Available Amount: 363 mg

Lipinsky:
logP: 1.013
Rotatable bonds: 4
H-donors: 0
H-acceptors: 3
PSA: 86
Number of rings: 2

     

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