COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK415181
Chemical Name: (2E)-2-(1,3-benzodioxol-5-ylmethylidene)-4,4-dimethyl-3-oxopentanenitrile
Smiles: N#C/C(=C\c1ccc2c(c1)OCO2)/C(=O)C(C)(C)C

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Molecular Weight: 257.29
Empirical Formula: C15H15NO3

Physical State: Dry powder
Available Amount: 496 mg

Lipinsky:
logP: 3.174
Rotatable bonds: 2
H-donors: 0
H-acceptors: 3
PSA: 59
Number of rings: 2

     

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