Molecule ID: mol1590

SMILES: CCOC(=O)c1ccnc(N)c1

InChI: InChI=1S/C8H10N2O2/c1-2-12-8(11)6-3-4-10-7(9)5-6/h3-5H,2H2,1H3,(H2,9,10)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization