| Phytochemical Name : Graveolinine |
| PCNDIDG0144 |
| Pubchem CID : 11044132 |
| Molecular formula: C17H13NO3 |
| Canonical SMILES : COC1=CC(=NC2=CC=CC=C21)C3=CC4=C(C=C3)OCO4 |
Synonymes : Graveolinine|4179-37-7|2-(1,3-benzodioxol-5-yl)-4-methoxyquinoline|8J9MPP91DN|2-(1,3-benzodioxol-5-yl)-4-methoxy-quinoline|UNII-8J9MPP91DN|Quinoline, 2-(1,3-benzodioxol-5-yl)-4-methoxy-|Oprea1_242467|CHEMBL2205100|CHEBI:173977|DTXSID201261279|BDBM50540148|2-(2H-1,3-benzodioxol-5-yl)-4-methoxyquinoline|2-(1,3-Benzodioxol-5-yl)-4-methoxyquinoline, 9CI |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : 3.180 |
| Log Po/w (XLOGP3) : 3.880 |
| Log Po/w (WLOGP) : 3.640 |
| Log Po/w (MLOGP) : 2.320 |
| Log Po/w (SILICOS-IT) : 3.890 |
| Consensus Log Po/w : 3.380 |