| Phytochemical Name : (S)-Mandelonitrile |
| PCNDIDOT0258 |
| Pubchem CID : 439767 |
| Molecular formula: C8H7NO |
| Canonical SMILES : C1=CC=C(C=C1)C(C#N)O |
Synonymes : (S)-Mandelonitrile|(S)-2-Hydroxy-2-phenylacetonitrile|28549-12-4|(-)-mandelonitrile|(S)-Benzaldehyde cyanohydrin|(S)-(-)-mandelonitrile|(2S)-2-hydroxy-2-phenylacetonitrile|Mandelonitrile, (-)-|l-mandelonitrile|(S)-MANDELIC ACID NITRILE|UNII-2K9VO6WZ5K|2K9VO6WZ5K|(S)-(-)-2-Hydroxy-2-phenylacetonitrile|Benzeneacetonitrile, alpha-hydroxy-, (alphaS)-|(S)-HYDROXY(PHENYL)ACETONITRILE|MANDELONITRILE, L-|SCHEMBL1820543|CHEBI:36941|(2S)-hydroxy(phenyl)acetonitrile|AKOS006278409|DB04737|(2S)-2-oxidanyl-2-phenyl-ethanenitrile|(A+/-)-2-hydroxy-2-phenyl-acetonitrile|TS-01716|C02615|A829461|Q27095474|BENZENEACETONITRILE, .ALPHA.-HYDROXY-, (.ALPHA.S)- |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : 1.350 |
| Log Po/w (XLOGP3) : 1.010 |
| Log Po/w (WLOGP) : 0.920 |
| Log Po/w (MLOGP) : 0.850 |
| Log Po/w (SILICOS-IT) : 1.350 |
| Consensus Log Po/w : 1.100 |