| Phytochemical Name : alpha-Methylenebenzeneacetic acid |
| PCNDIDA0098 |
| Pubchem CID : 442994 |
| Molecular formula: C17H19NO3 |
| Canonical SMILES : CN1C2CC(CC1C3C2O3)OC(=O)C(=C)C4=CC=CC=C4 |
Synonymes : Apohyoscine|C10844|535-26-2|AC1L9DTK|CHEBI:2785|Q27105816|[(2R,4S)-9-Methyl-3-oxa-9-azatricyclo[3.3.1.02,4]nonan-7-yl] 2-phenylprop-2-enoate|[(2S,4R)-9-methyl-3-oxa-9-azatricyclo[3.3.1.02,4]nonan-7-yl] 2-phenylprop-2-enoate |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : 2.760 |
| Log Po/w (XLOGP3) : 2.260 |
| Log Po/w (WLOGP) : 1.470 |
| Log Po/w (MLOGP) : 1.930 |
| Log Po/w (SILICOS-IT) : 2.120 |
| Consensus Log Po/w : 2.110 |