| MolName | (Z)-1-[2-[(2-fluorophenyl)methoxy]naphthalen-1-yl]-N-(1,2,4-triazol-4-yl)methanimine |
| MolecularFormula | C20H15N4OF |
| Smiles | Fc1c(COc2c(/C=N\n3cnnc3)c3ccccc3cc2)cccc1 |
| InChI | InChI=1S/C20H15FN4O/c21-19-8-4-2-6-16(19)12-26-20-10-9-15-5-1-3-7-17(15)18(20)11-24-25-13-22-23-14-25/h1-11,13-14H,12H2 |
| InChIK | JCIYXJFMQCYXIK-UHFFFAOYSA-N |
| TotalMolweight | 346.364 |
| Molweight | 346.364 |
| MonoisotopicMass | 346.122989 |
| CLogP | 3.8716 |
| CLogS | -7.571 |
| H Acceptors | 5 |
| TotalSurfaceArea | 268.97 |
| Relative PSA | 0.18708 |
| PolarSurfaceArea | 52.3 |
| Druglikeness | 1.7186 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 21 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 3 |
| StereoCon |
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1 - (Z)-1-[2-[(2-fluorophenyl)methoxy]naphthalen-1-yl]-N-(1,2,4-triazol-4-yl)methanimine | 2 - (Z)-1-[2-[(2-fluorophenyl)methoxy]naphthalen-1-yl]-N-(1,2,4-triazol-4-yl)methanimine