Molecule ID: mol25049

SMILES: C[n+]1ccc(O)cc1

InChI: InChI=1S/C6H7NO/c1-7-4-2-6(8)3-5-7/h2-5H,1H3/p+1

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
3.33 AttenGpKa training set 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization