COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK149371
Chemical Name: 2-{[2,6-dinitro-4-(trifluoromethyl)phenyl]sulfonyl}benzoicacid
Smiles: [O-][N+](=O)c1cc(cc(c1S(=O)(=O)c1ccccc1C(=O)O)[N+](=O)[O-])C(F)(F)F

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Molecular Weight: 420.28
Empirical Formula: C14H7F3N2O8S

Physical State: Dry powder
Available Amount: 163 mg

Lipinsky:
logP: 3.484
Rotatable bonds: 3
H-donors: 1
H-acceptors: 8
PSA: 171
Number of rings: 2

     

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