Molecule ID: mol27242

SMILES: O=C(NCO)c1cccc([N+](=O)[O-])c1

InChI: InChI=1S/C8H8N2O4/c11-5-9-8(12)6-2-1-3-7(4-6)10(13)14/h1-4,11H,5H2,(H,9,12)

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
13.00 AttenGpKa training set -1 » -2
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Charge States and Microspecies Visualization