| Phytochemical Name : Rubroflavin |
| PCNDIDR0046 |
| Pubchem CID : 135449289 |
| Molecular formula: C9H11N3O3S2 |
| Canonical SMILES : CSC1=C(C(=CC(=C1)O)S(=O)C)N=NC(=O)N |
Synonymes : Rubroflavin|138749-63-0|[(Z)-[2-methylsulfanyl-6-[(S)-methylsulfinyl]-4-oxocyclohexa-2,5-dien-1-ylidene]amino]urea|[4-hydroxy-2-methylsulfanyl-6-[(S)-methylsulfinyl]phenyl]iminourea|Hydrazinecarboxamide, 2-(2-(methylsulfinyl)-6-(methylthio)-4-oxo-2,5-cyclohexadien-1-ylidene)-, (S-(Z))- |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : 1.180 |
| Log Po/w (XLOGP3) : 0.630 |
| Log Po/w (WLOGP) : 2.880 |
| Log Po/w (MLOGP) : 1.140 |
| Log Po/w (SILICOS-IT) : 0.620 |
| Consensus Log Po/w : 1.290 |