Molecule ID: mol19630

SMILES: Cn1c(=O)c2c(nc3n(CCCN4CCc5ccccc5C4)c(-c4ccccc4)cn23)n(C)c1=O

InChI: InChI=1S/C27H28N6O2/c1-29-24-23(25(34)30(2)27(29)35)33-18-22(20-10-4-3-5-11-20)32(26(33)28-24)15-8-14-31-16-13-19-9-6-7-12-21(19)17-31/h3-7,9-12,18H,8,13-17H2,1-2H3

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization