Molecule ID: mol1323

SMILES: O=C(c1ccccc1)[C@@H](CN1CCOCC1)c1ccccc1

InChI: InChI=1S/C19H21NO2/c21-19(17-9-5-2-6-10-17)18(16-7-3-1-4-8-16)15-20-11-13-22-14-12-20/h1-10,18H,11-15H2/t18-/m0/s1

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
6.17 Hunt 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization