COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL484932
Chemical Name: (2E)-2-(4-chlorophenyl)-3-[5-nitro-2-(prop-2-yn-1-yloxy)phenyl]prop-2-enenitrile
Smiles: C#CCOc1ccc(cc1/C=C(\c1ccc(cc1)Cl)/C#N)[N+](=O)[O-]

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Molecular Weight: 338.75
Empirical Formula: C18H11ClN2O3

Physical State: Dry powder
Available Amount: 118 mg

Lipinsky:
logP: 5.119
Rotatable bonds: 3
H-donors: 0
H-acceptors: 3
PSA: 78
Number of rings: 2

     

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