Molecule ID: mol1103

SMILES: C[N+](C)(C)c1ccc(N)cc1

InChI: InChI=1S/C9H15N2/c1-11(2,3)9-6-4-8(10)5-7-9/h4-7H,10H2,1-3H3/q+1

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
2.15 AttenGpKa training set 2 » 1
2.44 IUPAC digitized pKa 2 » 1
2.44 OCHEM 2 » 1
2.44 Hunt 2 » 1
2.51 QSARToolbox 2 » 1
2.51 IUPAC digitized pKa 2 » 1
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization