Molecule ID: mol3905

SMILES: NC(=O)CCCc1c[nH]cn1

InChI: InChI=1S/C7H11N3O/c8-7(11)3-1-2-6-4-9-5-10-6/h4-5H,1-3H2,(H2,8,11)(H,9,10)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization