N-(4-chlorophenyl)-1-pyridin-4-ylmethanimine oxide
Formula:C12H9N2OCl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-(4-chlorophenyl)-1-pyridin-4-ylmethanimine oxide is a drug-like molecule.
| MolName | N-(4-chlorophenyl)-1-pyridin-4-ylmethanimine oxide |
| MolecularFormula | C12H9N2OCl |
| Smiles | [O-]/[N+](/c(cc1)ccc1Cl)=C\c1ccncc1 |
| InChI | InChI=1S/C12H9ClN2O/c13-11-1-3-12(4-2-11)15(16)9-10-5-7-14-8-6-10/h1-9H |
| InChIK | DEEWDAZIRIWVPX-UHFFFAOYSA-N |
| TotalMolweight | 232.669 |
| Molweight | 232.669 |
| MonoisotopicMass | 232.04034 |
| CLogP | 2.6209 |
| CLogS | -3.569 |
| H Acceptors | 3 |
| TotalSurfaceArea | 177.83 |
| Relative PSA | 0.15942 |
| PolarSurfaceArea | 41.64 |
| Druglikeness | -4.4454 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | nitrone |
| Shape Index | 0.6875 |
| Fragments | 1 |
| Non HAtoms | 16 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 2 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 1 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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