Molecule ID: mol7127

SMILES: O=C(NC1=NCCCN1)c1ccccc1

InChI: InChI=1S/C11H13N3O/c15-10(9-5-2-1-3-6-9)14-11-12-7-4-8-13-11/h1-3,5-6H,4,7-8H2,(H2,12,13,14,15)

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
7.12 IUPAC digitized pKa 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization