Molecule ID: mol14367

SMILES: O=C(N[C@@H]1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1)c1cccc2c1OCCO2

InChI: InChI=1S/C23H26N2O3/c26-23(20-7-4-8-21-22(20)28-12-11-27-21)24-17-13-18-9-10-19(14-17)25(18)15-16-5-2-1-3-6-16/h1-8,17-19H,9-15H2,(H,24,26)/t17-,18-,19+

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization