N-benzyl-2-[(2E)-2-(nitrosomethylidene)pyridin-1-yl]acetamide
Formula:C15H15N3O2
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
N-benzyl-2-[(2E)-2-(nitrosomethylidene)pyridin-1-yl]acetamide is a drug-like molecule.
| MolName | N-benzyl-2-[(2E)-2-(nitrosomethylidene)pyridin-1-yl]acetamide |
| MolecularFormula | C15H15N3O2 |
| Smiles | O=C(CN(C=CC=C1)/C1=C/N=O)NCc1ccccc1 |
| InChI | InChI=1S/C15H15N3O2/c19-15(16-10-13-6-2-1-3-7-13)12-18-9-5-4-8-14(18)11-17-20/h1-9,11H,10,12H2,(H,16,19) |
| InChIK | KMNCBXNQEKTMBC-UHFFFAOYSA-N |
| TotalMolweight | 269.303 |
| Molweight | 269.303 |
| MonoisotopicMass | 269.116427 |
| CLogP | 0.1786 |
| CLogS | -2.413 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 222.3 |
| Relative PSA | 0.23662 |
| PolarSurfaceArea | 61.77 |
| Druglikeness | 2.6895 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | nitroso |
| Shape Index | 0.65 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon |
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