Molecule ID: mol5040

SMILES: COc1nc2ccccc2c2ccccc12

InChI: InChI=1S/C14H11NO/c1-16-14-12-8-3-2-6-10(12)11-7-4-5-9-13(11)15-14/h2-9H,1H3

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization