| Phytochemical Name : 4-(3-Methyl-2-butenyl)-1H-indole |
| PCNDIDOT0809 |
| Pubchem CID : 598515 |
| Molecular formula: C13H15N |
| Canonical SMILES : CC(=CCC1=C2C=CNC2=CC=C1)C |
Synonymes : 4-(3-Methyl-2-butenyl)-1H-indole|1H-Indole, 4-(3-methyl-2-butenyl)-|4-(3-Methyl-2-butenyl)-1H-indole # |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : 2.310 |
| Log Po/w (XLOGP3) : 3.980 |
| Log Po/w (WLOGP) : 3.680 |
| Log Po/w (MLOGP) : 2.950 |
| Log Po/w (SILICOS-IT) : 4.030 |
| Consensus Log Po/w : 3.390 |