1-morpholin-4-yl-2-(2-nitropyridin-3-yl)oxyethanone
Formula:C11H13N3O5
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
1-morpholin-4-yl-2-(2-nitropyridin-3-yl)oxyethanone is a drug-like molecule.
| MolName | 1-morpholin-4-yl-2-(2-nitropyridin-3-yl)oxyethanone |
| MolecularFormula | C11H13N3O5 |
| Smiles | [O-][N+](c1ncccc1OCC(N1CCOCC1)=O)=O |
| InChI | InChI=1S/C11H13N3O5/c15-10(13-4-6-18-7-5-13)8-19-9-2-1-3-12-11(9)14(16)17/h1-3H,4-8H2 |
| InChIK | HWXPUWKOFRVLDY-UHFFFAOYSA-N |
| TotalMolweight | 267.24 |
| Molweight | 267.24 |
| MonoisotopicMass | 267.085522 |
| CLogP | -0.6623 |
| CLogS | -1.296 |
| H Acceptors | 8 |
| TotalSurfaceArea | 199.04 |
| Relative PSA | 0.39178 |
| PolarSurfaceArea | 97.48 |
| Druglikeness | -2.1376 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.57895 |
| Fragments | 1 |
| Non HAtoms | 19 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 8 |
| Symmetricatoms | 2 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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