Molecule ID: mol1402

SMILES: C[n+]1cccc2cccc(O)c21

InChI: InChI=1S/C10H9NO/c1-11-7-3-5-8-4-2-6-9(12)10(8)11/h2-7H,1H3/p+1

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
6.78 Hunt 1 » 0
6.81 OCHEM 1 » 0
6.81 Datawarrior 1 » 0
6.81 AttenGpKa training set 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization