Molecule ID: mol14366

SMILES: CC1C(=NO)C[C@@H]2N=C(c3ccccc3)O[C@@]13[C@@H]1OC(=O)[C@H](C)[C@H]1CC[C@]23C

InChI: InChI=1S/C22H26N2O4/c1-12-15-9-10-21(3)17-11-16(24-26)13(2)22(21,18(15)27-20(12)25)28-19(23-17)14-7-5-4-6-8-14/h4-8,12-13,15,17-18,26H,9-11H2,1-3H3/t12-,13?,15-,17+,18-,21-,22-/m1/s1

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
4.65 Datawarrior 1 » 0
4.70 Datawarrior 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization