2-[(Z)-(3-nitrophenyl)methylideneamino]oxy-1-piperidin-1-ylethanone
Formula:C14H17N3O4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[(Z)-(3-nitrophenyl)methylideneamino]oxy-1-piperidin-1-ylethanone is a drug-like molecule.
| MolName | 2-[(Z)-(3-nitrophenyl)methylideneamino]oxy-1-piperidin-1-ylethanone |
| MolecularFormula | C14H17N3O4 |
| Smiles | [O-][N+](c1cc(/C=N\OCC(N2CCCCC2)=O)ccc1)=O |
| InChI | InChI=1S/C14H17N3O4/c18-14(16-7-2-1-3-8-16)11-21-15-10-12-5-4-6-13(9-12)17(19)20/h4-6,9-10H,1-3,7-8,11H2 |
| InChIK | QCSFIRQHXQYPCT-UHFFFAOYSA-N |
| TotalMolweight | 291.306 |
| Molweight | 291.306 |
| MonoisotopicMass | 291.121907 |
| CLogP | 1.9792 |
| CLogS | -3.14 |
| H Acceptors | 7 |
| TotalSurfaceArea | 228.8 |
| Relative PSA | 0.29948 |
| PolarSurfaceArea | 87.72 |
| Druglikeness | -2.5335 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| 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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1 - 2-[(Z)-(3-nitrophenyl)methylideneamino]oxy-1-piperidin-1-ylethanone | 2 - 2-[(Z)-(3-nitrophenyl)methylideneamino]oxy-1-piperidin-1-ylethanone
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