COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK136389
Chemical Name: (2E)-2-(2,3-dimethoxybenzylidene)-4,4-dimethyl-3-oxopentanenitrile
Smiles: N#C/C(=C\c1cccc(c1OC)OC)/C(=O)C(C)(C)C

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Molecular Weight: 273.33
Empirical Formula: C16H19NO3

Physical State: Dry powder
Available Amount: 132 mg

Lipinsky:
logP: 2.94
Rotatable bonds: 4
H-donors: 0
H-acceptors: 3
PSA: 59
Number of rings: 1

     

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