Molecule ID: mol19306

SMILES: Cc1cccc(C)c1CNc1cc(C(=O)N(C)C)nc2c(C)c(C)n(Cc3ccccc3)c12

InChI: InChI=1S/C28H32N4O/c1-18-11-10-12-19(2)23(18)16-29-24-15-25(28(33)31(5)6)30-26-20(3)21(4)32(27(24)26)17-22-13-8-7-9-14-22/h7-15H,16-17H2,1-6H3,(H,29,30)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization