Molecule ID: mol2775

SMILES: CC(=O)N1CCC(CNc2nc3c(s2)CCCc2ccc(F)cc2-3)CC1

InChI: InChI=1S/C20H24FN3OS/c1-13(25)24-9-7-14(8-10-24)12-22-20-23-19-17-11-16(21)6-5-15(17)3-2-4-18(19)26-20/h5-6,11,14H,2-4,7-10,12H2,1H3,(H,22,23)

Experimental Macro pKa Values

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