Molecule ID: mol1025

SMILES: O=C(O)c1cc([N+](=O)[O-])ccc1Cl

InChI: InChI=1S/C7H4ClNO4/c8-6-2-1-4(9(12)13)3-5(6)7(10)11/h1-3H,(H,10,11)

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
2.17 Organic Oxygen Acids and Nitrogen Bases 0 » -1
2.17 OCHEM 0 » -1
2.17 OCHEM 0 » -1
2.17 Hunt 0 » -1
2.17 OCHEM 0 » -1
2.17 OCHEM 0 » -1
2.17 OCHEM 0 » -1
2.17 OCHEM 0 » -1
2.17 OCHEM 0 » -1
2.17 QSARToolbox 0 » -1
2.17 QSARToolbox 0 » -1
2.20 AttenGpKa training set 0 » -1
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization