COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK312512
Chemical Name: (2E)-1,1,1-trifluoro-4-(5-methylthiophen-2-yl)-4-oxobut-2-en-2-olate
Smiles: O=C(c1ccc(s1)C)/C=C(\C(F)(F)F)/[O-]

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Saltdata: Na+
Molecular Weight: 235.21
Empirical Formula: C9H6F3O2S

Physical State: Dry powder
Available Amount: 20 mg

Lipinsky:
logP: 4.609
Rotatable bonds: 2
H-donors: 0
H-acceptors: 2
PSA: 68
Number of rings: 1

     

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