Molecule ID: mol19638

SMILES: Cc1cn2c3c(=O)n(C)c(=O)n(C)c3nc2n1CCCN1CCN(c2ccccc2)CC1

InChI: InChI=1S/C23H29N7O2/c1-17-16-30-19-20(25(2)23(32)26(3)21(19)31)24-22(30)29(17)11-7-10-27-12-14-28(15-13-27)18-8-5-4-6-9-18/h4-6,8-9,16H,7,10-15H2,1-3H3

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization