Molecule ID: mol19253

SMILES: c1cc(CC2CCCNC2)c2ccoc2c1

InChI: InChI=1S/C14H17NO/c1-4-12(9-11-3-2-7-15-10-11)13-6-8-16-14(13)5-1/h1,4-6,8,11,15H,2-3,7,9-10H2

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization