| Phytochemical Name : Apoatropine |
| PCNDIDA0157 |
| Pubchem CID : 64695 |
| Molecular formula: C17H21NO2 |
| Canonical SMILES : CN1C2CCC1CC(C2)OC(=O)C(=C)C3=CC=CC=C3 |
Synonymes : Apoatropine|Atropamine|Atropine - H2O|Atropamine (Apoatropin)|(8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 2-phenylprop-2-enoate|1-alpha-H,5-alpha-H-Tropan-3-alpha-ol, atropate (ester)|CHEBI:2780|SCHEMBL21940586|DTXSID70871704|Apoatropin; Apohyoscyamin; Apohyoscyamine; Atropamin; Atropamine; Atropyltropeine|Benzeneacetic acid, .alpha.-methylene-, 8-methyl-8-azabicyclo[3.2.1]oct-3-yl ester, endo-|Benzeneacetic acid, alpha-methylene-, (3-endo)-8-methyl-8-azabicyclo(3.2.1)oct-3-yl ester|LS-157922|FT-0622449|FT-0622451|8-Methyl-8-azabicyclo[3.2.1]oct-3-yl atropate #|Q25099870|1-.alpha.-H,5-.alpha.-H-Tropan-3-.alpha.-ol, atropate|8-Methyl-8-azabicyclo[3.2.1]octan-3-yl 2-phenylprop-2-enoate|Propenoic acid, 2-phenyl-, 8-methyl-8-azabicyclo[3.2.1]octan-3-yl ester|Benzeneacetic acid, .alpha.-methylene-, 8-methyl-8-azabicyclo[3.2.1]oct-3-yl este |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : 3.240 |
| Log Po/w (XLOGP3) : 3.550 |
| Log Po/w (WLOGP) : 2.490 |
| Log Po/w (MLOGP) : 2.780 |
| Log Po/w (SILICOS-IT) : 2.660 |
| Consensus Log Po/w : 2.940 |