(Z)-N-(1,2,4-triazol-4-yl)-1-[4-(trifluoromethoxy)phenyl]methanimine
Formula:C10H7N4OF3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(Z)-N-(1,2,4-triazol-4-yl)-1-[4-(trifluoromethoxy)phenyl]methanimine is a drug-like molecule.
| MolName | (Z)-N-(1,2,4-triazol-4-yl)-1-[4-(trifluoromethoxy)phenyl]methanimine |
| MolecularFormula | C10H7N4OF3 |
| Smiles | FC(Oc1ccc(/C=N\n2cnnc2)cc1)(F)F |
| InChI | InChI=1S/C10H7F3N4O/c11-10(12,13)18-9-3-1-8(2-4-9)5-16-17-6-14-15-7-17/h1-7H |
| InChIK | ZHWRGWPXVNBQGC-UHFFFAOYSA-N |
| TotalMolweight | 256.187 |
| Molweight | 256.187 |
| MonoisotopicMass | 256.057195 |
| CLogP | 2.3273 |
| CLogS | -5.333 |
| H Acceptors | 5 |
| TotalSurfaceArea | 183.96 |
| Relative PSA | 0.27354 |
| PolarSurfaceArea | 52.3 |
| Druglikeness | -4.5425 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 18 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 2 |
| Symmetricatoms | 6 |
| Aromatic Nitrogens | 3 |
| StereoCon |
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1 - (Z)-N-(1,2,4-triazol-4-yl)-1-[4-(trifluoromethoxy)phenyl]methanimine | 2 - (Z)-N-(1,2,4-triazol-4-yl)-1-[4-(trifluoromethoxy)phenyl]methanimine
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