1-morpholin-4-yl-2-[(Z)-(3-nitrophenyl)methylideneamino]oxyethanone
Formula:C13H15N3O5
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
1-morpholin-4-yl-2-[(Z)-(3-nitrophenyl)methylideneamino]oxyethanone is a drug-like molecule.
| MolName | 1-morpholin-4-yl-2-[(Z)-(3-nitrophenyl)methylideneamino]oxyethanone |
| MolecularFormula | C13H15N3O5 |
| Smiles | [O-][N+](c1cc(/C=N\OCC(N2CCOCC2)=O)ccc1)=O |
| InChI | InChI=1S/C13H15N3O5/c17-13(15-4-6-20-7-5-15)10-21-14-9-11-2-1-3-12(8-11)16(18)19/h1-3,8-9H,4-7,10H2 |
| InChIK | WMGHUPLHUDMGET-UHFFFAOYSA-N |
| TotalMolweight | 293.278 |
| Molweight | 293.278 |
| MonoisotopicMass | 293.101172 |
| CLogP | 0.8152 |
| CLogS | -2.251 |
| H Acceptors | 8 |
| TotalSurfaceArea | 225.04 |
| Relative PSA | 0.34892 |
| PolarSurfaceArea | 96.95 |
| Druglikeness | -1.1855 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro |
| 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 |
| Amides | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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