Molecule ID: mol8000

SMILES: CC(=O)Cc1nc2ncccc2n(C)c1=O

InChI: InChI=1S/C11H11N3O2/c1-7(15)6-8-11(16)14(2)9-4-3-5-12-10(9)13-8/h3-5H,6H2,1-2H3

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization