Molecule ID: mol15008

SMILES: COc1ccccc1C(=O)N[C@@H]1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1

InChI: InChI=1S/C22H26N2O2/c1-26-21-10-6-5-9-20(21)22(25)23-17-13-18-11-12-19(14-17)24(18)15-16-7-3-2-4-8-16/h2-10,17-19H,11-15H2,1H3,(H,23,25)/t17-,18-,19+

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
8.88 Datawarrior 1 » 0
8.88 QSARToolbox 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization