Molecule ID: mol28985

SMILES: NCCOc1ccc(P(=O)(O)O)cc1

InChI: InChI=1S/C8H12NO4P/c9-5-6-13-7-1-3-8(4-2-7)14(10,11)12/h1-4H,5-6,9H2,(H2,10,11,12)

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
9.50 QSARToolbox -1 » -2
9.50 AttenGpKa training set -1 » -2
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization