Molecule ID: mol18149

SMILES: Cc1nc2c3c(c(C(=O)N(C)C)cn2c1C(=O)N(C)C)CCC(c1ccccc1)O3

InChI: InChI=1S/C23H26N4O3/c1-14-19(23(29)26(4)5)27-13-17(22(28)25(2)3)16-11-12-18(15-9-7-6-8-10-15)30-20(16)21(27)24-14/h6-10,13,18H,11-12H2,1-5H3

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization