Molecule ID: mol19621

SMILES: O=C1NC2(CCCc3ccccc32)C(=O)N1CCCN1CCN(c2cccc(C(F)(F)F)c2)CC1

InChI: InChI=1S/C26H29F3N4O2/c27-26(28,29)20-8-3-9-21(18-20)32-16-14-31(15-17-32)12-5-13-33-23(34)25(30-24(33)35)11-4-7-19-6-1-2-10-22(19)25/h1-3,6,8-10,18H,4-5,7,11-17H2,(H,30,35)

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
11.08 OCHEM 0 » -1
11.08 Baltruschat ChEMBL 0 » -1
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization