1-[5-[2-nitro-4-(trifluoromethyl)phenyl]furan-2-yl]-N-phenylmethanimine oxide
Formula:C18H11N2O4F3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
1-[5-[2-nitro-4-(trifluoromethyl)phenyl]furan-2-yl]-N-phenylmethanimine oxide is a drug-like molecule.
| MolName | 1-[5-[2-nitro-4-(trifluoromethyl)phenyl]furan-2-yl]-N-phenylmethanimine oxide |
| MolecularFormula | C18H11N2O4F3 |
| Smiles | [O-]/[N+](/c1ccccc1)=C\c1ccc(-c(ccc(C(F)(F)F)c2)c2[N+]([O-])=O)o1 |
| InChI | InChI=1S/C18H11F3N2O4/c19-18(20,21)12-6-8-15(16(10-12)23(25)26)17-9-7-14(27-17)11-22(24)13-4-2-1-3-5-13/h1-11H |
| InChIK | YOQBCHWUKOMOLA-UHFFFAOYSA-N |
| TotalMolweight | 376.289 |
| Molweight | 376.289 |
| MonoisotopicMass | 376.067092 |
| CLogP | 3.8814 |
| CLogS | -6.326 |
| H Acceptors | 6 |
| TotalSurfaceArea | 266.23 |
| Relative PSA | 0.23254 |
| PolarSurfaceArea | 87.71 |
| Druglikeness | -11.883 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; nitrone |
| Shape Index | 0.55556 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 3 |
| Symmetricatoms | 4 |
| AcidicOxygens | 2 |
| StereoCon |
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