Molecule ID: mol16717

SMILES: Oc1cc(C2=CCNCC2)on1

InChI: InChI=1S/C8H10N2O2/c11-8-5-7(12-10-8)6-1-3-9-4-2-6/h1,5,9H,2-4H2,(H,10,11)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization