Molecule ID: mol18649

SMILES: Cc1cc(OCc2cc(C)nn2-c2ccccc2)n(CCN)n1

InChI: InChI=1S/C17H21N5O/c1-13-10-16(22(20-13)15-6-4-3-5-7-15)12-23-17-11-14(2)19-21(17)9-8-18/h3-7,10-11H,8-9,12,18H2,1-2H3

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
2.50 Baltruschat ChEMBL 2 » 1
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization