Molecule ID: mol19303

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

InChI: InChI=1S/C24H32N4O2/c1-14-9-8-10-15(2)19(14)12-25-20-11-21(24(30)27(6)7)26-22-17(4)18(5)28(23(20)22)13-16(3)29/h8-11,16,29H,12-13H2,1-7H3,(H,25,26)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization