Molecule ID: mol19473

SMILES: CCc1cccc(C)c1CNc1cc(C(N)=O)cn2c(C)c(C)nc12

InChI: InChI=1S/C20H24N4O/c1-5-15-8-6-7-12(2)17(15)10-22-18-9-16(19(21)25)11-24-14(4)13(3)23-20(18)24/h6-9,11,22H,5,10H2,1-4H3,(H2,21,25)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization