| MolName | (Z)-1-[2-(difluoromethoxy)phenyl]-N-(1,2,4-triazol-4-yl)methanimine |
| MolecularFormula | C10H8N4OF2 |
| Smiles | FC(Oc1c(/C=N\n2cnnc2)cccc1)F |
| InChI | InChI=1S/C10H8F2N4O/c11-10(12)17-9-4-2-1-3-8(9)5-15-16-6-13-14-7-16/h1-7,10H |
| InChIK | FGUMFIYJTUILSD-UHFFFAOYSA-N |
| TotalMolweight | 238.197 |
| Molweight | 238.197 |
| MonoisotopicMass | 238.066617 |
| CLogP | 1.3977 |
| CLogS | -4.932 |
| H Acceptors | 5 |
| TotalSurfaceArea | 179.7 |
| Relative PSA | 0.28002 |
| PolarSurfaceArea | 52.3 |
| Druglikeness | 0.69093 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.58824 |
| Fragments | 1 |
| Non HAtoms | 17 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 2 |
| Symmetricatoms | 3 |
| Aromatic Nitrogens | 3 |
| StereoCon |
Click to Load Molecule:
1 - (Z)-1-[2-(difluoromethoxy)phenyl]-N-(1,2,4-triazol-4-yl)methanimine | 2 - (Z)-1-[2-(difluoromethoxy)phenyl]-N-(1,2,4-triazol-4-yl)methanimine