2-[4-(nitrosomethylidene)pyridin-1-yl]-1-piperidin-1-ylethanone
Formula:C13H17N3O2
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
2-[4-(nitrosomethylidene)pyridin-1-yl]-1-piperidin-1-ylethanone is a drug-like molecule.
| MolName | 2-[4-(nitrosomethylidene)pyridin-1-yl]-1-piperidin-1-ylethanone |
| MolecularFormula | C13H17N3O2 |
| Smiles | O=C(CN(C=C1)C=CC1=CN=O)N1CCCCC1 |
| InChI | InChI=1S/C13H17N3O2/c17-13(16-6-2-1-3-7-16)11-15-8-4-12(5-9-15)10-14-18/h4-5,8-10H,1-3,6-7,11H2 |
| InChIK | ZBPKQXUCWINKHF-UHFFFAOYSA-N |
| TotalMolweight | 247.297 |
| Molweight | 247.297 |
| MonoisotopicMass | 247.132077 |
| CLogP | -0.0689 |
| CLogS | -1.552 |
| H Acceptors | 5 |
| TotalSurfaceArea | 202.92 |
| Relative PSA | 0.22023 |
| PolarSurfaceArea | 52.98 |
| Druglikeness | 1.0411 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | nitroso |
| Shape Index | 0.72222 |
| Fragments | 1 |
| Non HAtoms | 18 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 3 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Sp3Atoms | 6 |
| Symmetricatoms | 4 |
| Amides | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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