Molecule ID: mol1182

SMILES: c1ccc2c(c1)CC[C@@H]2N[C@H]1CCc2ccccc21

InChI: InChI=1S/C18H19N/c1-3-7-15-13(5-1)9-11-17(15)19-18-12-10-14-6-2-4-8-16(14)18/h1-8,17-19H,9-12H2/t17-,18-/m0/s1

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization