| Phytochemical Name : n-(4-Chlorobenzoyl)-melatonin |
| PCNDIDN0005 |
| Pubchem CID : 86086004 |
| Molecular formula: C20H19ClN2O3 |
| Canonical SMILES : CC(=O)NCCC1=CN(C2=C1C=C(C=C2)OC)C(=O)C3=CC=C(C=C3)Cl |
Synonymes : CHEMBL4742775|n-(4-chlorobenzoyl)-melatonin|BDBM50546236 |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : 3.240 |
| Log Po/w (XLOGP3) : 3.710 |
| Log Po/w (WLOGP) : 3.670 |
| Log Po/w (MLOGP) : 3.110 |
| Log Po/w (SILICOS-IT) : 4.000 |
| Consensus Log Po/w : 3.550 |