| Phytochemical Name : Capillene |
| PCNDIDC0038 |
| Pubchem CID : 3083613 |
| Molecular formula: C12H10 |
| Canonical SMILES : CC#CC#CCC1=CC=CC=C1 |
Synonymes : Capillene|Agropyrene|Benzene, 2,4-hexadiynyl-|520-74-1|Capillen|hexa-2,4-diynylbenzene|Hexa-2,4-diyn-1-ylbenzene|Capilline|2,4-Hexadiynyl-Benzene|1-Phenyl-2,4-hexadiyne|1-phenyl-hexa-2,4-diyne|2,4-Hexadiyne, 1-phenyl-|2,4-Hexadiynylbenzene, 9CI|Benzene, 2,4-hexadiyn-1-yl-|CHEMBL4470219|CHEBI:80802|DTXSID30199971|C16927|Q27149845 |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : 2.800 |
| Log Po/w (XLOGP3) : 3.370 |
| Log Po/w (WLOGP) : 2.420 |
| Log Po/w (MLOGP) : 4.870 |
| Log Po/w (SILICOS-IT) : 3.390 |
| Consensus Log Po/w : 3.370 |