Molecule ID: mol3573
SMILES: O=C(Nc1ccccc1)Nc1ccc(CC(CN2CCCCC2)c2ccc(NC(=O)Nc3ccccc3)cc2)cc1
InChI: InChI=1S/C34H37N5O2/c40-33(35-29-10-4-1-5-11-29)37-31-18-14-26(15-19-31)24-28(25-39-22-8-3-9-23-39)27-16-20-32(21-17-27)38-34(41)36-30-12-6-2-7-13-30/h1-2,4-7,10-21,28H,3,8-9,22-25H2,(H2,35,37,40)(H2,36,38,41)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.99 | QSARToolbox | 1 » 0 |
| 7.99 | IUPAC digitized pKa | 1 » 0 |