(Z)-N-(1,2,4-triazol-4-yl)-1-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methanimine
Formula:C14H9N4OF3
Mutagenic:high
Tumorigenic:high
Reproductive Effective:high
(Z)-N-(1,2,4-triazol-4-yl)-1-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methanimine is a drug-like molecule.
| MolName | (Z)-N-(1,2,4-triazol-4-yl)-1-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methanimine |
| MolecularFormula | C14H9N4OF3 |
| Smiles | FC(c1cc(-c2ccc(/C=N\n3cnnc3)o2)ccc1)(F)F |
| InChI | InChI=1S/C14H9F3N4O/c15-14(16,17)11-3-1-2-10(6-11)13-5-4-12(22-13)7-20-21-8-18-19-9-21/h1-9H |
| InChIK | GONHABSKSWQCNJ-UHFFFAOYSA-N |
| TotalMolweight | 306.246 |
| Molweight | 306.246 |
| MonoisotopicMass | 306.072845 |
| CLogP | 3.0155 |
| CLogS | -6.548 |
| H Acceptors | 5 |
| TotalSurfaceArea | 223.41 |
| Relative PSA | 0.24363 |
| PolarSurfaceArea | 56.21 |
| Druglikeness | -1.133 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.59091 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 1 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 3 |
| StereoCon |
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