(NE)-N-[(2E)-2-[(3-nitrophenyl)methylidene]-1-azabicyclo[2.2.2]octan-3-ylidene]hydroxylamine
Formula:C14H15N3O3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(NE)-N-[(2E)-2-[(3-nitrophenyl)methylidene]-1-azabicyclo[2.2.2]octan-3-ylidene]hydroxylamine is a drug-like molecule.
| MolName | (NE)-N-[(2E)-2-[(3-nitrophenyl)methylidene]-1-azabicyclo[2.2.2]octan-3-ylidene]hydroxylamine |
| MolecularFormula | C14H15N3O3 |
| Smiles | [O-][N+](c1cc(/C=C2/N(CC3)CCC3/C2=N\O)ccc1)=O |
| InChI | InChI=1S/C14H15N3O3/c18-15-14-11-4-6-16(7-5-11)13(14)9-10-2-1-3-12(8-10)17(19)20/h1-3,8-9,11,18H,4-7H2 |
| InChIK | ZJWLLSOPNNQALB-UHFFFAOYSA-N |
| TotalMolweight | 273.291 |
| Molweight | 273.291 |
| MonoisotopicMass | 273.111342 |
| CLogP | 1.1786 |
| CLogS | -3.504 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 201.8 |
| Relative PSA | 0.29029 |
| PolarSurfaceArea | 81.65 |
| Druglikeness | -0.3897 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 2 |
| Rings Closures | 3 |
| Small Rings | 4 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 8 |
| Symmetricatoms | 2 |
| BasicNitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - (NE)-N-[(2E)-2-[(3-nitrophenyl)methylidene]-1-azabicyclo[2.2.2]octan-3-ylidene]hydroxylamine | 2 - (NE)-N-[(2E)-2-[(3-nitrophenyl)methylidene]-1-azabicyclo[2.2.2]octan-3-ylidene]hydroxylamine
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