Molecule ID: mol3520

SMILES: c1ccc(NC2CCc3ccccc32)cc1

InChI: InChI=1S/C15H15N/c1-2-7-13(8-3-1)16-15-11-10-12-6-4-5-9-14(12)15/h1-9,15-16H,10-11H2

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization