| Phytochemical Name : Datumetine |
| PCNDIDD0015 |
| Pubchem CID : 181868 |
| Molecular formula: C16H21NO3 |
| Canonical SMILES : CN1C2CCC1CC(C2)C3=C(C=CC(=C3)C(=O)O)OC |
Synonymes : Datumetine|67078-20-0|4-methoxy-3-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)benzoic acid|4-Methoxy-3-(8-methyl-8-azabicyclo(3.2.1)oct-3-yl)benzoic acid|DTXSID40986112|AKOS040734546 |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : 2.850 |
| Log Po/w (XLOGP3) : 3.560 |
| Log Po/w (WLOGP) : 3.390 |
| Log Po/w (MLOGP) : 3.670 |
| Log Po/w (SILICOS-IT) : 3.270 |
| Consensus Log Po/w : 3.350 |