Molecule ID: mol15667

SMILES: Cc1cc(C(c2ccc(N)cc2)c2ccc(N)cc2)ccc1N

InChI: InChI=1S/C20H21N3/c1-13-12-16(6-11-19(13)23)20(14-2-7-17(21)8-3-14)15-4-9-18(22)10-5-15/h2-12,20H,21-23H2,1H3

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
2.60 QSARToolbox 3 » 2
2.60 Datawarrior 3 » 2
2.60 AttenGpKa training set 3 » 2
3.80 Datawarrior 3 » 2
3.80 AttenGpKa training set 3 » 2
4.90 Datawarrior 1 » 0
4.90 AttenGpKa training set 1 » 0
4.90 OCHEM 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization