Molecule ID: mol31854

SMILES: CCOC(=O)c1cnc2oc(/C=N/N3C[C@@H](CN4CCOCC4)OC3=O)cc2c1O

InChI: InChI=1S/C19H22N4O7/c1-2-28-18(25)15-9-20-17-14(16(15)24)7-12(29-17)8-21-23-11-13(30-19(23)26)10-22-3-5-27-6-4-22/h7-9,13H,2-6,10-11H2,1H3,(H,20,24)/b21-8+/t13-/m1/s1

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization