Molecule ID: mol37171

SMILES: O=P(O)(O)NCCc1ccccc1

InChI: InChI=1S/C8H12NO3P/c10-13(11,12)9-7-6-8-4-2-1-3-5-8/h1-5H,6-7H2,(H3,9,10,11,12)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization