(Z)-1-[5-[4-chloro-3-(trifluoromethyl)phenyl]furan-2-yl]-N-(1,2,4-triazol-4-yl)methanimine
Formula:C14H8N4OClF3
Mutagenic:high
Tumorigenic:high
Reproductive Effective:high
(Z)-1-[5-[4-chloro-3-(trifluoromethyl)phenyl]furan-2-yl]-N-(1,2,4-triazol-4-yl)methanimine is a drug-like molecule.
| MolName | (Z)-1-[5-[4-chloro-3-(trifluoromethyl)phenyl]furan-2-yl]-N-(1,2,4-triazol-4-yl)methanimine |
| MolecularFormula | C14H8N4OClF3 |
| Smiles | FC(c(cc(cc1)-c2ccc(/C=N\n3cnnc3)o2)c1Cl)(F)F |
| InChI | InChI=1S/C14H8ClF3N4O/c15-12-3-1-9(5-11(12)14(16,17)18)13-4-2-10(23-13)6-21-22-7-19-20-8-22/h1-8H |
| InChIK | ILGWJEMRRNUKHH-UHFFFAOYSA-N |
| TotalMolweight | 340.692 |
| Molweight | 340.692 |
| MonoisotopicMass | 340.033872 |
| CLogP | 3.6215 |
| CLogS | -7.284 |
| H Acceptors | 5 |
| TotalSurfaceArea | 238.83 |
| Relative PSA | 0.2279 |
| PolarSurfaceArea | 56.21 |
| Druglikeness | -1.1237 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.56522 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| 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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1 - (Z)-1-[5-[4-chloro-3-(trifluoromethyl)phenyl]furan-2-yl]-N-(1,2,4-triazol-4-yl)methanimine | 2 - (Z)-1-[5-[4-chloro-3-(trifluoromethyl)phenyl]furan-2-yl]-N-(1,2,4-triazol-4-yl)methanimine
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