Molecule ID: mol24959

SMILES: CCCOc1cc(C(=O)NCCN(CC)CC)c2ccccc2n1

InChI: InChI=1S/C19H27N3O2/c1-4-13-24-18-14-16(15-9-7-8-10-17(15)21-18)19(23)20-11-12-22(5-2)6-3/h7-10,14H,4-6,11-13H2,1-3H3,(H,20,23)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization