Molecule ID: mol1613

SMILES: COc1ncc(-c2ccc(N(C)C)cc2)cn1

InChI: InChI=1S/C13H15N3O/c1-16(2)12-6-4-10(5-7-12)11-8-14-13(17-3)15-9-11/h4-9H,1-3H3

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization