Molecule ID: mol1070

SMILES: CNc1ccc(C(=O)OC)cc1

InChI: InChI=1S/C9H11NO2/c1-10-8-5-3-7(4-6-8)9(11)12-2/h3-6,10H,1-2H3

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
2.32 QSARToolbox 1 » 0
2.32 IUPAC digitized pKa 1 » 0
2.32 OCHEM 1 » 0
2.32 Hunt 1 » 0
2.32 OCHEM 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization