Molecule ID: mol18339

SMILES: c1cc(Nc2ccc(NC3=NCCN3)cc2)ccc1NC1=NCCN1

InChI: InChI=1S/C18H21N7/c1-5-15(24-17-19-9-10-20-17)6-2-13(1)23-14-3-7-16(8-4-14)25-18-21-11-12-22-18/h1-8,23H,9-12H2,(H2,19,20,24)(H2,21,22,25)

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
9.90 OCHEM 1 » 0
9.90 Baltruschat ChEMBL 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization