Molecule ID: mol18153

SMILES: CON(C)C(=O)c1cn2c(C)c(C)nc2c2c1CCC(c1ccccc1)O2

InChI: InChI=1S/C21H23N3O3/c1-13-14(2)24-12-17(21(25)23(3)26-4)16-10-11-18(15-8-6-5-7-9-15)27-19(16)20(24)22-13/h5-9,12,18H,10-11H2,1-4H3

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization