COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: BBL035463
Chemical Name: 3-ethoxy-4-[2-nitro-4-(trifluoromethyl)phenoxy]benzoicacid
Smiles: CCOc1cc(ccc1Oc1ccc(cc1[N+](=O)[O-])C(F)(F)F)C(=O)O

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Molecular Weight: 371.27
Empirical Formula: C16H12F3NO6

Physical State: Dry powder
Available Amount: 2000 mg

Lipinsky:
logP: 2.381
Rotatable bonds: 6
H-donors: 1
H-acceptors: 6
PSA: 101
Number of rings: 2

     

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