Molecule ID: mol17922

SMILES: COc1ccc(OC)c(N=C2NCCN2)c1

InChI: InChI=1S/C11H15N3O2/c1-15-8-3-4-10(16-2)9(7-8)14-11-12-5-6-13-11/h3-4,7H,5-6H2,1-2H3,(H2,12,13,14)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization