| MolName | 2-[4-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]methoxy]phenyl]-N'-hydroxyethanimidamide |
| MolecularFormula | C15H13N3O2ClF3 |
| Smiles | N/C(/Cc(cc1)ccc1OCc(ncc(C(F)(F)F)c1)c1Cl)=N/O |
| InChI | InChI=1S/C15H13ClF3N3O2/c16-12-6-10(15(17,18)19)7-21-13(12)8-24-11-3-1-9(2-4-11)5-14(20)22-23/h1-4,6-7,23H,5,8H2,(H2,20,22) |
| InChIK | MUQMSCOGAGEEJT-UHFFFAOYSA-N |
| TotalMolweight | 359.734 |
| Molweight | 359.734 |
| MonoisotopicMass | 359.064838 |
| CLogP | 3.2219 |
| CLogS | -4.129 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 252.02 |
| Relative PSA | 0.24145 |
| PolarSurfaceArea | 80.73 |
| Druglikeness | -8.7724 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | low |
| Irritant | high |
| Nasty Functions | |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 6 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 5 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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1 - 2-[4-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]methoxy]phenyl]-N'-hydroxyethanimidamide | 2 - 2-[4-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]methoxy]phenyl]-N'-hydroxyethanimidamide