N-(2-oxo-2-phenylmethoxyethyl)-1-phenylmethanimine oxide
Formula:C16H15NO3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-(2-oxo-2-phenylmethoxyethyl)-1-phenylmethanimine oxide is a drug-like molecule.
| MolName | N-(2-oxo-2-phenylmethoxyethyl)-1-phenylmethanimine oxide |
| MolecularFormula | C16H15NO3 |
| Smiles | [O-]/[N+](/CC(OCc1ccccc1)=O)=C\c1ccccc1 |
| InChI | InChI=1S/C16H15NO3/c18-16(20-13-15-9-5-2-6-10-15)12-17(19)11-14-7-3-1-4-8-14/h1-11H,12-13H2 |
| InChIK | MLNKMOCFRSZLSZ-UHFFFAOYSA-N |
| TotalMolweight | 269.299 |
| Molweight | 269.299 |
| MonoisotopicMass | 269.105194 |
| CLogP | 2.2929 |
| CLogS | -1.003 |
| H Acceptors | 4 |
| TotalSurfaceArea | 218.92 |
| Relative PSA | 0.18463 |
| PolarSurfaceArea | 55.05 |
| Druglikeness | -4.03 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | nitrone |
| Shape Index | 0.7 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 6 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 4 |
| Symmetricatoms | 4 |
| AcidicOxygens | 1 |
| StereoCon |
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