2,3,5,6-tetrafluoro-N-[(Z)-(3-nitrophenyl)methylideneamino]-4-(trifluoromethyl)aniline
Formula:C14H6N3O2F7
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2,3,5,6-tetrafluoro-N-[(Z)-(3-nitrophenyl)methylideneamino]-4-(trifluoromethyl)aniline is not a drug-like molecule.
| MolName | 2,3,5,6-tetrafluoro-N-[(Z)-(3-nitrophenyl)methylideneamino]-4-(trifluoromethyl)aniline |
| MolecularFormula | C14H6N3O2F7 |
| Smiles | [O-][N+](c1cccc(/C=N\Nc(c(F)c(c(C(F)(F)F)c2F)F)c2F)c1)=O |
| InChI | InChI=1S/C14H6F7N3O2/c15-9-8(14(19,20)21)10(16)12(18)13(11(9)17)23-22-5-6-2-1-3-7(4-6)24(25)26/h1-5,23H |
| InChIK | FBEJDTKXBRKWDC-UHFFFAOYSA-N |
| TotalMolweight | 381.207 |
| Molweight | 381.207 |
| MonoisotopicMass | 381.034823 |
| CLogP | 5.1708 |
| CLogS | -5.643 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 247.77 |
| Relative PSA | 0.21548 |
| PolarSurfaceArea | 70.21 |
| Druglikeness | -10.322 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; imine/hydrazone of aldehyde; polyhalo aromatic ring |
| Shape Index | 0.53846 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 12 |
| Electronegative Atoms | 12 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 3 |
| Symmetricatoms | 6 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - 2,3,5,6-tetrafluoro-N-[(Z)-(3-nitrophenyl)methylideneamino]-4-(trifluoromethyl)aniline | 2 - 2,3,5,6-tetrafluoro-N-[(Z)-(3-nitrophenyl)methylideneamino]-4-(trifluoromethyl)aniline
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