Molecule ID: mol16592

SMILES: OCCCNc1c2ccccc2nc2c1oc1ccccc12

InChI: InChI=1S/C18H16N2O2/c21-11-5-10-19-16-12-6-1-3-8-14(12)20-17-13-7-2-4-9-15(13)22-18(16)17/h1-4,6-9,21H,5,10-11H2,(H,19,20)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization