| MolName | N-[2-[(E)-[amino(phenyl)methylidene]amino]oxy-1,1,1,3,3,3-hexafluoropropan-2-yl]benzamide |
| MolecularFormula | C17H13N3O2F6 |
| Smiles | N/C(/c1ccccc1)=N/OC(C(F)(F)F)(C(F)(F)F)NC(c1ccccc1)=O |
| InChI | InChI=1S/C17H13F6N3O2/c18-16(19,20)15(17(21,22)23,25-14(27)12-9-5-2-6-10-12)28-26-13(24)11-7-3-1-4-8-11/h1-10H,(H2,24,26)(H,25,27) |
| InChIK | SGFIPVJRQPQPJU-UHFFFAOYSA-N |
| TotalMolweight | 405.297 |
| Molweight | 405.297 |
| MonoisotopicMass | 405.091195 |
| CLogP | 4.6342 |
| CLogS | -5.369 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 273.05 |
| Relative PSA | 0.22443 |
| PolarSurfaceArea | 76.71 |
| Druglikeness | -9.1237 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 11 |
| Electronegative Atoms | 11 |
| Rotatable Bond | 7 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 4 |
| Symmetricatoms | 10 |
| Amides | 1 |
| StereoCon |
Click to Load Molecule:
1 - N-[2-[(E)-[amino(phenyl)methylidene]amino]oxy-1,1,1,3,3,3-hexafluoropropan-2-yl]benzamide | 2 - N-[2-[(E)-[amino(phenyl)methylidene]amino]oxy-1,1,1,3,3,3-hexafluoropropan-2-yl]benzamide