| Phytochemical Name : Lignin |
| PCNDIDL0057 |
| Pubchem CID : 175586 |
| Molecular formula: C18H13N3Na2O8S2 |
| Canonical SMILES : CC(=O)NC1=C2C(=C(C=C1)S(=O)(=O)[O-])C=C(C(=C2O)N=NC3=CC=CC=C3)S(=O)(=O)[O-].[Na+].[Na+] |
Synonymes : 94113-57-2|LIGNIN|EINECS 302-591-3|Disodium 4-(acetylamino)-5-hydroxy-6-(phenylazo)naphthalene-1,7-disulphonate |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : -26.210 |
| Log Po/w (XLOGP3) : 1.820 |
| Log Po/w (WLOGP) : 4.700 |
| Log Po/w (MLOGP) : 1.580 |
| Log Po/w (SILICOS-IT) : 0.620 |
| Consensus Log Po/w : -3.500 |