2,3,5,6-tetrafluoro-N-[(Z)-[5-(3-nitrophenyl)furan-2-yl]methylideneamino]-4-(trifluoromethyl)aniline
Formula:C18H8N3O3F7
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
2,3,5,6-tetrafluoro-N-[(Z)-[5-(3-nitrophenyl)furan-2-yl]methylideneamino]-4-(trifluoromethyl)aniline is not a drug-like molecule.
| MolName | 2,3,5,6-tetrafluoro-N-[(Z)-[5-(3-nitrophenyl)furan-2-yl]methylideneamino]-4-(trifluoromethyl)aniline |
| MolecularFormula | C18H8N3O3F7 |
| Smiles | [O-][N+](c1cccc(-c2ccc(/C=N\Nc(c(F)c(c(C(F)(F)F)c3F)F)c3F)o2)c1)=O |
| InChI | InChI=1S/C18H8F7N3O3/c19-13-12(18(23,24)25)14(20)16(22)17(15(13)21)27-26-7-10-4-5-11(31-10)8-2-1-3-9(6-8)28(29)30/h1-7,27H |
| InChIK | DEXHNMVTDNITDK-UHFFFAOYSA-N |
| TotalMolweight | 447.266 |
| Molweight | 447.266 |
| MonoisotopicMass | 447.045388 |
| CLogP | 6.1097 |
| CLogS | -7.103 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 297.22 |
| Relative PSA | 0.2271 |
| PolarSurfaceArea | 83.35 |
| Druglikeness | -7.9651 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; imine/hydrazone of aldehyde; polyhalo aromatic ring |
| Shape Index | 0.54839 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 13 |
| Electronegative Atoms | 13 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 3 |
| Symmetricatoms | 6 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - 2,3,5,6-tetrafluoro-N-[(Z)-[5-(3-nitrophenyl)furan-2-yl]methylideneamino]-4-(trifluoromethyl)aniline | 2 - 2,3,5,6-tetrafluoro-N-[(Z)-[5-(3-nitrophenyl)furan-2-yl]methylideneamino]-4-(trifluoromethyl)aniline
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