Molecule ID: mol1237

SMILES: C[C@@H]1C[C@H](Oc2ccccc2)CC(C)(C)N1

InChI: InChI=1S/C14H21NO/c1-11-9-13(10-14(2,3)15-11)16-12-7-5-4-6-8-12/h4-8,11,13,15H,9-10H2,1-3H3/t11-,13+/m1/s1

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization