COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK114207
Chemical Name: (2E)-2-(4-chlorobenzylidene)-4,4-dimethyl-3-oxopentanenitrile
Smiles: N#C/C(=C\c1ccc(cc1)Cl)/C(=O)C(C)(C)C

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Molecular Weight: 247.72
Empirical Formula: C14H14ClNO

Physical State: Dry powder
Available Amount: 236 mg

Lipinsky:
logP: 3.577
Rotatable bonds: 1
H-donors: 0
H-acceptors: 1
PSA: 40
Number of rings: 1

     

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