Molecule ID: mol2935

SMILES: Cc1ncc(-c2ccc(C(F)(F)F)cc2)c(NC2C3CC4CC(C3)CC2C4)n1

InChI: InChI=1S/C22H24F3N3/c1-12-26-11-19(15-2-4-18(5-3-15)22(23,24)25)21(27-12)28-20-16-7-13-6-14(9-16)10-17(20)8-13/h2-5,11,13-14,16-17,20H,6-10H2,1H3,(H,26,27,28)

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
6.00 Novartis 1 » 0
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Charge States and Microspecies Visualization