Molecule ID: mol382

SMILES: Clc1ccc2c(c1)N=C(N1CCNCC1)c1ccccc1N2

InChI: InChI=1S/C17H17ClN4/c18-12-5-6-15-16(11-12)21-17(22-9-7-19-8-10-22)13-3-1-2-4-14(13)20-15/h1-6,11,19-20H,7-10H2

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
8.90 OCHEM 1 » 0
8.90 Settimo 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization