N-phenyl-1-[4-(trifluoromethyl)phenyl]methanimine oxide
Formula:C14H10NOF3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-phenyl-1-[4-(trifluoromethyl)phenyl]methanimine oxide is a drug-like molecule.
| MolName | N-phenyl-1-[4-(trifluoromethyl)phenyl]methanimine oxide |
| MolecularFormula | C14H10NOF3 |
| Smiles | [O-]/[N+](/c1ccccc1)=C\c1ccc(C(F)(F)F)cc1 |
| InChI | InChI=1S/C14H10F3NO/c15-14(16,17)12-8-6-11(7-9-12)10-18(19)13-4-2-1-3-5-13/h1-10H |
| InChIK | TXCXITSIYDZTLL-UHFFFAOYSA-N |
| TotalMolweight | 265.233 |
| Molweight | 265.233 |
| MonoisotopicMass | 265.071448 |
| CLogP | 3.8641 |
| CLogS | -4.406 |
| H Acceptors | 2 |
| TotalSurfaceArea | 193.11 |
| Relative PSA | 0.090001 |
| PolarSurfaceArea | 28.75 |
| Druglikeness | -12.265 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | nitrone |
| Shape Index | 0.63158 |
| Fragments | 1 |
| Non HAtoms | 19 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 3 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 2 |
| Symmetricatoms | 6 |
| AcidicOxygens | 1 |
| StereoCon |
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