(Z)-N-(1,2,4-triazol-4-yl)-1-[3-(trifluoromethyl)phenyl]methanimine
Formula:C10H7N4F3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(Z)-N-(1,2,4-triazol-4-yl)-1-[3-(trifluoromethyl)phenyl]methanimine is a drug-like molecule.
| MolName | (Z)-N-(1,2,4-triazol-4-yl)-1-[3-(trifluoromethyl)phenyl]methanimine |
| MolecularFormula | C10H7N4F3 |
| Smiles | FC(c1cc(/C=N\n2cnnc2)ccc1)(F)F |
| InChI | InChI=1S/C10H7F3N4/c11-10(12,13)9-3-1-2-8(4-9)5-16-17-6-14-15-7-17/h1-7H |
| InChIK | DKEWAXMOCSWSIB-UHFFFAOYSA-N |
| TotalMolweight | 240.188 |
| Molweight | 240.188 |
| MonoisotopicMass | 240.06228 |
| CLogP | 2.0766 |
| CLogS | -5.088 |
| H Acceptors | 4 |
| TotalSurfaceArea | 173.96 |
| Relative PSA | 0.23178 |
| PolarSurfaceArea | 43.07 |
| Druglikeness | -3.3194 |
| 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 | 3 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 1 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 3 |
| StereoCon |
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