N'-[(Z)-(4-morpholin-4-ylphenyl)methylideneamino]oxamide
Formula:C13H16N4O3
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
N'-[(Z)-(4-morpholin-4-ylphenyl)methylideneamino]oxamide is a drug-like molecule.
| MolName | N'-[(Z)-(4-morpholin-4-ylphenyl)methylideneamino]oxamide |
| MolecularFormula | C13H16N4O3 |
| Smiles | NC(C(N/N=C\c(cc1)ccc1N1CCOCC1)=O)=O |
| InChI | InChI=1S/C13H16N4O3/c14-12(18)13(19)16-15-9-10-1-3-11(4-2-10)17-5-7-20-8-6-17/h1-4,9H,5-8H2,(H2,14,18)(H,16,19) |
| InChIK | YSTXMOMPHVGZPU-UHFFFAOYSA-N |
| TotalMolweight | 276.295 |
| Molweight | 276.295 |
| MonoisotopicMass | 276.122241 |
| CLogP | -0.2473 |
| CLogS | -2.205 |
| H Acceptors | 7 |
| H Donors | 2 |
| TotalSurfaceArea | 215.34 |
| Relative PSA | 0.36161 |
| PolarSurfaceArea | 97.02 |
| Druglikeness | 2.858 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde; limit! oxal-diamide |
| Shape Index | 0.7 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 5 |
| Symmetricatoms | 4 |
| Amides | 1 |
| Amines | 1 |
| Aromatic Amines | 1 |
| StereoCon |
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