Molecule ID: mol421
SMILES: CNC1CCC(c2ccc(Cl)c(Cl)c2)c2ccccc21
InChI: InChI=1S/C17H17Cl2N/c1-20-17-9-7-12(13-4-2-3-5-14(13)17)11-6-8-15(18)16(19)10-11/h2-6,8,10,12,17,20H,7,9H2,1H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 8.00 | OCHEM | 1 » 0 |
| 8.00 | AvLiLuMoVe | 1 » 0 |
| 8.00 | Settimo | 1 » 0 |