| Phytochemical Name : Cycloalliin |
| PCNDIDC0304 |
| Pubchem CID : 12305351 |
| Molecular formula: C6H11NO3S |
| Canonical SMILES : CC1CS(=O)CC(N1)C(=O)O |
Synonymes : Cycloalliin|15042-85-0|5-Methylthiomorpholine-3-carboxylic acid 1-oxide|5-methyl-1-oxo-1,4-thiazinane-3-carboxylic acid|DTXSID60486725|CHEBI:173815|AKOS014315875|3-Thiomorpholinecarboxylicacid,5-methyl-,1-oxide|EN300-6941981|5-Methyl-3-thiomorpholinecarboxylic acid 1-oxide, 9CI|5-Methyl-1-oxo-1lambda~4~,4-thiazinane-3-carboxylic acid|5-methyl-1-oxo-1lambda4-thiomorpholine-3-carboxylic acid|5-methyl-1-oxo-1$l^{4},4-thiomorpholine-3-carboxylic acid|3-Carboxy-5-methyl-3,4,5,6-tetrahydro-2H-1,4-thiazine 1-oxide |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : 0.750 |
| Log Po/w (XLOGP3) : -3.620 |
| Log Po/w (WLOGP) : -0.340 |
| Log Po/w (MLOGP) : -3.170 |
| Log Po/w (SILICOS-IT) : -0.820 |
| Consensus Log Po/w : -1.440 |