Molecule ID: mol18063

SMILES: NCC1(Cc2n[nH]c(=O)o2)CCCCC1

InChI: InChI=1S/C10H17N3O2/c11-7-10(4-2-1-3-5-10)6-8-12-13-9(14)15-8/h1-7,11H2,(H,13,14)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization