2-morpholin-4-ium-4-yl-N-[(Z)-(3-nitrophenyl)methylideneamino]acetamide
Formula:C13H17N4O4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-morpholin-4-ium-4-yl-N-[(Z)-(3-nitrophenyl)methylideneamino]acetamide is a drug-like molecule.
| MolName | 2-morpholin-4-ium-4-yl-N-[(Z)-(3-nitrophenyl)methylideneamino]acetamide |
| MolecularFormula | C13H17N4O4 |
| Smiles | [O-][N+](c1cc(/C=N\NC(C[NH+]2CCOCC2)=O)ccc1)=O |
| InChI | InChI=1S/C13H16N4O4/c18-13(10-16-4-6-21-7-5-16)15-14-9-11-2-1-3-12(8-11)17(19)20/h1-3,8-9H,4-7,10H2,(H,15,18)/p+1 |
| InChIK | DEKDATTVODZUFH-UHFFFAOYSA-O |
| TotalMolweight | 293.302 |
| Molweight | 293.302 |
| MonoisotopicMass | 293.124981 |
| CLogP | -0.6962 |
| CLogS | -2.201 |
| H Acceptors | 8 |
| H Donors | 2 |
| TotalSurfaceArea | 240.54 |
| Relative PSA | 0.39087 |
| PolarSurfaceArea | 100.95 |
| Druglikeness | -2.7257 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 8 |
| Symmetricatoms | 2 |
| Amines | 1 |
| AlkylAmines | 1 |
| BasicNitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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