Molecule ID: mol622

SMILES: O=C(NCC12CC3CC(CC(C3)C1)C2)c1cc(-n2ncc(=O)[nH]c2=O)ccc1Cl

InChI: InChI=1S/C21H23ClN4O3/c22-17-2-1-15(26-20(29)25-18(27)10-24-26)6-16(17)19(28)23-11-21-7-12-3-13(8-21)5-14(4-12)9-21/h1-2,6,10,12-14H,3-5,7-9,11H2,(H,23,28)(H,25,27,29)

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
6.20 Hunt 0 » -1
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization