| MolName | (Z)-1-[2-[(2-fluorophenyl)methoxy]-3,5-diiodophenyl]-N-(1,2,4-triazol-4-yl)methanimine |
| MolecularFormula | C16H11N4OFI2 |
| Smiles | Fc1c(COc(c(/C=N\n2cnnc2)cc(I)c2)c2I)cccc1 |
| InChI | InChI=1S/C16H11FI2N4O/c17-14-4-2-1-3-11(14)8-24-16-12(5-13(18)6-15(16)19)7-22-23-9-20-21-10-23/h1-7,9-10H,8H2 |
| InChIK | GNFGVFHZXCVZOQ-UHFFFAOYSA-N |
| TotalMolweight | 548.088 |
| Molweight | 548.088 |
| MonoisotopicMass | 547.900635 |
| CLogP | 3.5514 |
| CLogS | -7.997 |
| H Acceptors | 5 |
| TotalSurfaceArea | 286.93 |
| Relative PSA | 0.17537 |
| PolarSurfaceArea | 52.3 |
| Druglikeness | 2.2175 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.54167 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 3 |
| StereoCon |
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1 - (Z)-1-[2-[(2-fluorophenyl)methoxy]-3,5-diiodophenyl]-N-(1,2,4-triazol-4-yl)methanimine | 2 - (Z)-1-[2-[(2-fluorophenyl)methoxy]-3,5-diiodophenyl]-N-(1,2,4-triazol-4-yl)methanimine