Molecule ID: mol3007

SMILES: O=C1CN(c2ccccc2)C(=O)N1

InChI: InChI=1S/C9H8N2O2/c12-8-6-11(9(13)10-8)7-4-2-1-3-5-7/h1-5H,6H2,(H,10,12,13)

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
8.30 Novartis 0 » -1
8.74 QSARToolbox 0 » -1
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization