Molecule ID: mol18163

SMILES: Cc1nc2c3c(c(C(=O)N4CC4)cn2c1C)CCC(c1ccccc1)O3

InChI: InChI=1S/C21H21N3O2/c1-13-14(2)24-12-17(21(25)23-10-11-23)16-8-9-18(15-6-4-3-5-7-15)26-19(16)20(24)22-13/h3-7,12,18H,8-11H2,1-2H3

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization