N-benzyl-1-pyridin-2-ylmethanimine oxide
Formula:C13H12N2O
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-benzyl-1-pyridin-2-ylmethanimine oxide is a drug-like molecule.
| MolName | N-benzyl-1-pyridin-2-ylmethanimine oxide |
| MolecularFormula | C13H12N2O |
| Smiles | [O-]/[N+](/Cc1ccccc1)=C\c1ncccc1 |
| InChI | InChI=1S/C13H12N2O/c16-15(10-12-6-2-1-3-7-12)11-13-8-4-5-9-14-13/h1-9,11H,10H2 |
| InChIK | PIXOZLLDJAWSOV-UHFFFAOYSA-N |
| TotalMolweight | 212.251 |
| Molweight | 212.251 |
| MonoisotopicMass | 212.094963 |
| CLogP | 1.7881 |
| CLogS | -0.329 |
| H Acceptors | 3 |
| TotalSurfaceArea | 176.17 |
| Relative PSA | 0.16092 |
| PolarSurfaceArea | 41.64 |
| Druglikeness | -4.6574 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | nitrone |
| Shape Index | 0.6875 |
| Fragments | 1 |
| Non HAtoms | 16 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 3 |
| Rotatable Bond | 3 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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