Molecule ID: mol17262

SMILES: O=C(CCc1ccccc1)NO

InChI: InChI=1S/C9H11NO2/c11-9(10-12)7-6-8-4-2-1-3-5-8/h1-5,12H,6-7H2,(H,10,11)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization