| Phytochemical Name : Urushiol |
| PCNDIDU0012 |
| Pubchem CID : 44144477 |
| Molecular formula: C105H162O10 |
| Canonical SMILES : CCCCCCCCCCCCCCCC1=C(C(=CC=C1)O)O.CCCCCCC=CCCCCCCCC1=C(C(=CC=C1)O)O.CCCC=CCC=CCCCCCCCC1=C(C(=CC=C1)O)O.CC=CC=CCC=CCCCCCCCC1=C(C(=CC=C1)O)O.C=CCC=CCC=CCCCCCCCC1=C(C(=CC=C1)O)O |
Synonymes : Urushiol|53237-59-5|HSDB 7485|3-[(8E,11E)-pentadeca-8,11-dienyl]benzene-1,2-diol;3-[(8E,11E)-pentadeca-8,11,14-trienyl]benzene-1,2-diol;3-[(8E,11E,13E)-pentadeca-8,11,13-trienyl]benzene-1,2-diol;3-[(E)-pentadec-8-enyl]benzene-1,2-diol;3-pentadecylbenzene-1,2-diol |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : 0.000 |
| Log Po/w (XLOGP3) : 38.860 |
| Log Po/w (WLOGP) : 31.640 |
| Log Po/w (MLOGP) : 11.590 |
| Log Po/w (SILICOS-IT) : 6.740 |
| Consensus Log Po/w : 17.770 |