Molecule ID: mol3522

SMILES: Cc1cccc(NC2CCc3ccccc32)c1

InChI: InChI=1S/C16H17N/c1-12-5-4-7-14(11-12)17-16-10-9-13-6-2-3-8-15(13)16/h2-8,11,16-17H,9-10H2,1H3

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization