| MolName | (E)-1-[3-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-1,2-oxazol-5-yl]-N-[(2,6-dichlorophenyl)methoxy]-1-phenylmethanimine |
| MolecularFormula | C23H13N3O2Cl3F3 |
| Smiles | FC(c1cc(Cl)c(-c2noc(/C(/c3ccccc3)=N/OCc(c(Cl)ccc3)c3Cl)c2)nc1)(F)F |
| InChI | InChI=1S/C23H13Cl3F3N3O2/c24-16-7-4-8-17(25)15(16)12-33-32-21(13-5-2-1-3-6-13)20-10-19(31-34-20)22-18(26)9-14(11-30-22)23(27,28)29/h1-11H,12H2 |
| InChIK | JGRCQLMSWPSJJO-UHFFFAOYSA-N |
| TotalMolweight | 526.728 |
| Molweight | 526.728 |
| MonoisotopicMass | 525.002542 |
| CLogP | 7.0033 |
| CLogS | -8.2 |
| H Acceptors | 5 |
| TotalSurfaceArea | 362.2 |
| Relative PSA | 0.15892 |
| PolarSurfaceArea | 60.51 |
| Druglikeness | -5.8973 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | low |
| Irritant | high |
| Nasty Functions | |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 34 |
| NonCHAtoms | 11 |
| Electronegative Atoms | 11 |
| Rotatable Bond | 7 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 23 |
| Sp3Atoms | 3 |
| Symmetricatoms | 7 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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1 - (E)-1-[3-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-1,2-oxazol-5-yl]-N-[(2,6-dichlorophenyl)methoxy]-1-phenylmethanimine | 2 - (E)-1-[3-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-1,2-oxazol-5-yl]-N-[(2,6-dichlorophenyl)methoxy]-1-phenylmethanimine