Molecule ID: mol34002

SMILES: Nc1ccn(CCOCP(=O)(O)O)c(=O)n1

InChI: InChI=1S/C7H12N3O5P/c8-6-1-2-10(7(11)9-6)3-4-15-5-16(12,13)14/h1-2H,3-5H2,(H2,8,9,11)(H2,12,13,14)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization