| Phytochemical Name : 4,7-Dimethyltetral-1-one |
| PCNDIDOT0821 |
| Pubchem CID : 5316902 |
| Molecular formula: C12H14O |
| Canonical SMILES : CC1CCC(=O)C2=C1C=CC(=C2)C |
Synonymes : 4,7-Dimethyltetral-1-one|28449-86-7|(S)-11,12,13-Trinor-7-calamenone|4,7-dimethyl-1,2,3,4-tetrahydronaphthalen-1-one|4,7-dimethyl-3,4-dihydro-2H-naphthalen-1-one|4,7-Dimethyl-1-tetralone|4,7-Dimethyltetralin-1-one|SCHEMBL13383481|AKOS004119755|EN300-3055140 |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : 2.310 |
| Log Po/w (XLOGP3) : 2.720 |
| Log Po/w (WLOGP) : 3.080 |
| Log Po/w (MLOGP) : 2.580 |
| Log Po/w (SILICOS-IT) : 3.540 |
| Consensus Log Po/w : 2.850 |