Molecule ID: mol19304

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

InChI: InChI=1S/C28H32N4O2/c1-18-10-9-11-19(2)22(18)15-29-24-14-25(28(34)31(4)5)30-26-23(17-33)20(3)32(27(24)26)16-21-12-7-6-8-13-21/h6-14,33H,15-17H2,1-5H3,(H,29,30)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization