COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL015637
Chemical Name: (1,1,1,3,3,3-hexafluoropropane-2,2-diyl)dibenzene-4,1-diylbis(2-chloro-5-nitrobenzoate)
Smiles: O=C(c1cc(ccc1Cl)[N+](=O)[O-])Oc1ccc(cc1)C(C(F)(F)F)(C(F)(F)F)c1ccc(cc1)OC(=O)c1cc(ccc1Cl)[N+](=O)[O-]

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Molecular Weight: 703.33
Empirical Formula: C29H14Cl2F6N2O8

Physical State: Dry powder
Available Amount: 87 mg

Lipinsky:
logP: 7.315
Rotatable bonds: 4
H-donors: 0
H-acceptors: 8
PSA: 144
Number of rings: 4

     

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