4-[(E)-2-(3-nitropyridin-4-yl)ethenyl]morpholine
Formula:C11H13N3O3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
4-[(E)-2-(3-nitropyridin-4-yl)ethenyl]morpholine is a drug-like molecule.
| MolName | 4-[(E)-2-(3-nitropyridin-4-yl)ethenyl]morpholine |
| MolecularFormula | C11H13N3O3 |
| Smiles | [O-][N+](c1c(/C=C/N2CCOCC2)ccnc1)=O |
| InChI | InChI=1S/C11H13N3O3/c15-14(16)11-9-12-3-1-10(11)2-4-13-5-7-17-8-6-13/h1-4,9H,5-8H2 |
| InChIK | UDDGTAMSSJYTAT-UHFFFAOYSA-N |
| TotalMolweight | 235.242 |
| Molweight | 235.242 |
| MonoisotopicMass | 235.095692 |
| CLogP | -1.2849 |
| CLogS | -1.561 |
| H Acceptors | 6 |
| TotalSurfaceArea | 184.03 |
| Relative PSA | 0.29854 |
| PolarSurfaceArea | 71.18 |
| Druglikeness | -3.9394 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.58824 |
| Fragments | 1 |
| Non HAtoms | 17 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 3 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 7 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 1 |
| BasicNitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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