Molecule ID: mol1101

SMILES: C[N+](C)(C)c1cccc(N)c1

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

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
1.98 AttenGpKa training set 2 » 1
2.22 IUPAC digitized pKa 2 » 1
2.22 OCHEM 2 » 1
2.22 Hunt 2 » 1
2.26 IUPAC digitized pKa 2 » 1
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization