Molecule ID: mol15670

SMILES: CC[C@]12CCCN3CC[C@@]4(c5cccc(OC)c5N[C@H]4CC1)[C@@H]32

InChI: InChI=1S/C20H28N2O/c1-3-19-9-5-12-22-13-11-20(18(19)22)14-6-4-7-15(23-2)17(14)21-16(20)8-10-19/h4,6-7,16,18,21H,3,5,8-13H2,1-2H3/t16-,18-,19-,20-/m0/s1

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
2.70 Datawarrior 2 » 1
8.46 Datawarrior 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization