| Phytochemical Name : Capillin |
| PCNDIDC0039 |
| Pubchem CID : 10321 |
| Molecular formula: C12H8O |
| Canonical SMILES : CC#CC#CC(=O)C1=CC=CC=C1 |
Synonymes : Capillin|1-phenylhexa-2,4-diyn-1-one|495-74-9|2,4-HEXADIYNOPHENONE|2,4-Hexadiyn-1-one, 1-phenyl-|1-Phenyl-2,4-hexadiyn-1-one|9JXZ3SJG0I|NSC 113499|BRN 1865168|NSC-113499|2, 4-Hexadiynophenone|UNII-9JXZ3SJG0I|1-Benzoyl-1,3-pentadiyne|2,4-Hexadiynophenone, 8CI|CHEBI:3369|CHEMBL4540891|DTXSID90197812|1-Phenyl-2,4-hexadiyn-1-one #|NSC113499|AKOS006277108|LS-74926|2,4-Hexadiyn-1-one, 1-phenyl- (9CI)|C08398|Q18012475 |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : 2.530 |
| Log Po/w (XLOGP3) : 2.990 |
| Log Po/w (WLOGP) : 2.060 |
| Log Po/w (MLOGP) : 2.800 |
| Log Po/w (SILICOS-IT) : 2.930 |
| Consensus Log Po/w : 2.660 |