COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL071388
Chemical Name: (2Z,6Z)-2-(4-hydroxy-3-methoxybenzylidene)-6-(2,2,2-trifluoro-1-hydroxyethylidene)cyclohexanone
Smiles: COc1cc(ccc1O)/C=C\1/CCC/C(=C(\C(F)(F)F)/O)/C1=O

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Molecular Weight: 328.29
Empirical Formula: C16H15F3O4

Physical State: Dry powder
Available Amount: 150 mg

Lipinsky:
logP: 5.29
Rotatable bonds: 4
H-donors: 2
H-acceptors: 4
PSA: 66
Number of rings: 2

     

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