Molecule ID: mol16593

SMILES: OCCNc1c2ccccc2nc2c1oc1ccccc12

InChI: InChI=1S/C17H14N2O2/c20-10-9-18-15-11-5-1-3-7-13(11)19-16-12-6-2-4-8-14(12)21-17(15)16/h1-8,20H,9-10H2,(H,18,19)

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