N-[(Z)-(3-nitrophenyl)methylideneamino]-2-oxopiperidine-3-carboxamide
Formula:C13H14N4O4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:low
N-[(Z)-(3-nitrophenyl)methylideneamino]-2-oxopiperidine-3-carboxamide is a drug-like molecule.
| MolName | N-[(Z)-(3-nitrophenyl)methylideneamino]-2-oxopiperidine-3-carboxamide |
| MolecularFormula | C13H14N4O4 |
| Smiles | [O-][N+](c1cc(/C=N\NC(C(CCCN2)C2=O)=O)ccc1)=O |
| InChI | InChI=1S/C13H14N4O4/c18-12-11(5-2-6-14-12)13(19)16-15-8-9-3-1-4-10(7-9)17(20)21/h1,3-4,7-8,11H,2,5-6H2,(H,14,18)(H,16,19)/t11-/m1/s1 |
| InChIK | HYDVGLHZTPKMFG-LLVKDONJSA-N |
| TotalMolweight | 290.278 |
| Molweight | 290.278 |
| MonoisotopicMass | 290.101506 |
| CLogP | 0.3066 |
| CLogS | -3.294 |
| H Acceptors | 8 |
| H Donors | 2 |
| TotalSurfaceArea | 220.39 |
| Relative PSA | 0.41259 |
| PolarSurfaceArea | 116.38 |
| Druglikeness | -0.78783 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.61905 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| StereoCenters | 1 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 5 |
| Amides | 1 |
| AcidicOxygens | 1 |
| StereoCon | racemate |
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1 - N-[(Z)-(3-nitrophenyl)methylideneamino]-2-oxopiperidine-3-carboxamide | 2 - N-[(Z)-(3-nitrophenyl)methylideneamino]-2-oxopiperidine-3-carboxamide
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