Molecule ID: mol8185

SMILES: CCOC(=O)N1CN=Cc2nccnc21

InChI: InChI=1S/C9H10N4O2/c1-2-15-9(14)13-6-10-5-7-8(13)12-4-3-11-7/h3-5H,2,6H2,1H3

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization