Molecule ID: mol17917

SMILES: COc1cc(C)ccc1N=C1NCCN1

InChI: InChI=1S/C11H15N3O/c1-8-3-4-9(10(7-8)15-2)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
10.60 OCHEM 1 » 0
10.60 Baltruschat ChEMBL 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization