Molecule ID: mol29800

SMILES: COc1ccc2nccc([C@H](O)C3CC4CCN3CC4)c2c1

InChI: InChI=1S/C18H22N2O2/c1-22-13-2-3-16-15(11-13)14(4-7-19-16)18(21)17-10-12-5-8-20(17)9-6-12/h2-4,7,11-12,17-18,21H,5-6,8-10H2,1H3/t17?,18-/m0/s1

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
9.30 AttenGpKa training set 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization