Molecule ID: mol19467

SMILES: CCN(CC)Cc1ccc(O)c2ncccc12

InChI: InChI=1S/C14H18N2O/c1-3-16(4-2)10-11-7-8-13(17)14-12(11)6-5-9-15-14/h5-9,17H,3-4,10H2,1-2H3

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
4.48 Baltruschat ChEMBL 2 » 1
9.19 Baltruschat ChEMBL 0 » -1
9.32 Baltruschat ChEMBL 0 » -1
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization