COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK774493
Chemical Name: 4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2,6-dimethylphenyl4-nitrobenzoate
Smiles: Cc1cc(cc(c1OC(=O)c1ccc(cc1)[N+](=O)[O-])C)C(C(F)(F)F)(C(F)(F)F)O

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Molecular Weight: 437.3
Empirical Formula: C18H13F6NO5

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 6.036
Rotatable bonds: 2
H-donors: 1
H-acceptors: 5
PSA: 92
Number of rings: 2

     

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