| MolName | (2S,3S)-N,N'-bis[(Z)-furan-2-ylmethylideneamino]-2,3-dihydroxybutanediamide |
| MolecularFormula | C14H14N4O6 |
| Smiles | O[C@@H]([C@@H](C(N/N=C\c1ccco1)=O)O)C(N/N=C\c1ccco1)=O |
| InChI | InChI=1S/C14H14N4O6/c19-11(13(21)17-15-7-9-3-1-5-23-9)12(20)14(22)18-16-8-10-4-2-6-24-10/h1-8,11-12,19-20H,(H,17,21)(H,18,22)/t11-,12-/m0/s1 |
| InChIK | QYPUXKGGQLPMLM-RYUDHWBXSA-N |
| TotalMolweight | 334.287 |
| Molweight | 334.287 |
| MonoisotopicMass | 334.091336 |
| CLogP | -0.219 |
| CLogS | -3.224 |
| H Acceptors | 10 |
| H Donors | 4 |
| TotalSurfaceArea | 258.04 |
| Relative PSA | 0.49 |
| PolarSurfaceArea | 149.66 |
| Druglikeness | 5.4288 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| StereoCenters | 2 |
| Rotatable Bond | 7 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 10 |
| Sp3Atoms | 4 |
| Symmetricatoms | 12 |
| StereoCon | this enantiomer |
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1 - (2S,3S)-N,N'-bis[(Z)-furan-2-ylmethylideneamino]-2,3-dihydroxybutanediamide | 2 - (2S,3S)-N,N'-bis[(Z)-furan-2-ylmethylideneamino]-2,3-dihydroxybutanediamide