1-morpholin-4-yl-2-[4-(nitrosomethylidene)pyridin-1-yl]ethanone
Formula:C12H15N3O3
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
1-morpholin-4-yl-2-[4-(nitrosomethylidene)pyridin-1-yl]ethanone is a drug-like molecule.
| MolName | 1-morpholin-4-yl-2-[4-(nitrosomethylidene)pyridin-1-yl]ethanone |
| MolecularFormula | C12H15N3O3 |
| Smiles | O=C(CN(C=C1)C=CC1=CN=O)N1CCOCC1 |
| InChI | InChI=1S/C12H15N3O3/c16-12(15-5-7-18-8-6-15)10-14-3-1-11(2-4-14)9-13-17/h1-4,9H,5-8,10H2 |
| InChIK | MYJZAZYBNQJXMS-UHFFFAOYSA-N |
| TotalMolweight | 249.269 |
| Molweight | 249.269 |
| MonoisotopicMass | 249.111342 |
| CLogP | -1.2329 |
| CLogS | -0.663 |
| H Acceptors | 6 |
| TotalSurfaceArea | 199.16 |
| Relative PSA | 0.2746 |
| PolarSurfaceArea | 62.21 |
| Druglikeness | 2.2084 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | nitroso |
| Shape Index | 0.72222 |
| Fragments | 1 |
| Non HAtoms | 18 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 3 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Sp3Atoms | 6 |
| Symmetricatoms | 4 |
| Amides | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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