Molecule ID: mol18152

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

InChI: InChI=1S/C21H22N2O3/c1-4-25-21(24)17-12-23-14(3)13(2)22-20(23)19-16(17)10-11-18(26-19)15-8-6-5-7-9-15/h5-9,12,18H,4,10-11H2,1-3H3

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization