(2S)-2-hydroxy-N-[(Z)-(5-iodofuran-2-yl)methylideneamino]-2-phenylacetamide
Formula:C13H11N2O3I
Mutagenic:high
Tumorigenic:high
Reproductive Effective:low
(2S)-2-hydroxy-N-[(Z)-(5-iodofuran-2-yl)methylideneamino]-2-phenylacetamide is a drug-like molecule.
| MolName | (2S)-2-hydroxy-N-[(Z)-(5-iodofuran-2-yl)methylideneamino]-2-phenylacetamide |
| MolecularFormula | C13H11N2O3I |
| Smiles | O[C@H](C(N/N=C\c(o1)ccc1I)=O)c1ccccc1 |
| InChI | InChI=1S/C13H11IN2O3/c14-11-7-6-10(19-11)8-15-16-13(18)12(17)9-4-2-1-3-5-9/h1-8,12,17H,(H,16,18)/t12-/m0/s1 |
| InChIK | BGXMWQLGJFRONI-LBPRGKRZSA-N |
| TotalMolweight | 370.141 |
| Molweight | 370.141 |
| MonoisotopicMass | 369.981441 |
| CLogP | 1.8528 |
| CLogS | -3.599 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 221.81 |
| Relative PSA | 0.28502 |
| PolarSurfaceArea | 74.83 |
| Druglikeness | 7.5382 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | low |
| Irritant | high |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.68421 |
| Fragments | 1 |
| Non HAtoms | 19 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| StereoCenters | 1 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| StereoCon | this enantiomer |
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