N-(4-morpholin-4-ylphenyl)-2-[(Z)-(3-nitrophenyl)methylideneamino]oxyacetamide
Formula:C19H20N4O5
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
N-(4-morpholin-4-ylphenyl)-2-[(Z)-(3-nitrophenyl)methylideneamino]oxyacetamide is a drug-like molecule.
| MolName | N-(4-morpholin-4-ylphenyl)-2-[(Z)-(3-nitrophenyl)methylideneamino]oxyacetamide |
| MolecularFormula | C19H20N4O5 |
| Smiles | [O-][N+](c1cc(/C=N\OCC(Nc(cc2)ccc2N2CCOCC2)=O)ccc1)=O |
| InChI | InChI=1S/C19H20N4O5/c24-19(14-28-20-13-15-2-1-3-18(12-15)23(25)26)21-16-4-6-17(7-5-16)22-8-10-27-11-9-22/h1-7,12-13H,8-11,14H2,(H,21,24) |
| InChIK | LSZYLKQILFLHPU-UHFFFAOYSA-N |
| TotalMolweight | 384.391 |
| Molweight | 384.391 |
| MonoisotopicMass | 384.143371 |
| CLogP | 1.9574 |
| CLogS | -4.156 |
| H Acceptors | 9 |
| H Donors | 1 |
| TotalSurfaceArea | 296.26 |
| Relative PSA | 0.30372 |
| PolarSurfaceArea | 108.98 |
| Druglikeness | -1.6367 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.67857 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 7 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 8 |
| Symmetricatoms | 4 |
| Amides | 1 |
| Amines | 1 |
| Aromatic Amines | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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