Molecule ID: mol29056

SMILES: O=P(Nc1ccccc1)(Nc1ccccc1)Oc1ccccc1

InChI: InChI=1S/C18H17N2O2P/c21-23(19-16-10-4-1-5-11-16,20-17-12-6-2-7-13-17)22-18-14-8-3-9-15-18/h1-15H,(H2,19,20,21)

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
12.70 QSARToolbox -1 » -2
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization