Molecule ID: mol24946

SMILES: CCOc1cc(C(=O)NCCN(CC)CC)c2ccccc2n1

InChI: InChI=1S/C18H25N3O2/c1-4-21(5-2)12-11-19-18(22)15-13-17(23-6-3)20-16-10-8-7-9-14(15)16/h7-10,13H,4-6,11-12H2,1-3H3,(H,19,22)

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
1.93 AttenGpKa training set 2 » 1
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization