Molecule ID: mol38279

SMILES: CC(=O)Nc1cc2nc3cc(N(C)C)ccc3cc2cc1C

InChI: InChI=1S/C18H19N3O/c1-11-7-14-8-13-5-6-15(21(3)4)9-17(13)20-18(14)10-16(11)19-12(2)22/h5-10H,1-4H3,(H,19,22)

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
8.38 QSARToolbox 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization