N-[(Z)-(4-bromophenyl)methylideneamino]-2,3,5,6-tetrafluoro-4-(trifluoromethyl)aniline
Formula:C14H6N2BrF7
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(4-bromophenyl)methylideneamino]-2,3,5,6-tetrafluoro-4-(trifluoromethyl)aniline is not a drug-like molecule.
| MolName | N-[(Z)-(4-bromophenyl)methylideneamino]-2,3,5,6-tetrafluoro-4-(trifluoromethyl)aniline |
| MolecularFormula | C14H6N2BrF7 |
| Smiles | FC(c(c(F)c(c(N/N=C\c(cc1)ccc1Br)c1F)F)c1F)(F)F |
| InChI | InChI=1S/C14H6BrF7N2/c15-7-3-1-6(2-4-7)5-23-24-13-11(18)9(16)8(14(20,21)22)10(17)12(13)19/h1-5,24H |
| InChIK | SMDGQFFRCYKVPV-UHFFFAOYSA-N |
| TotalMolweight | 415.106 |
| Molweight | 415.106 |
| MonoisotopicMass | 413.960255 |
| CLogP | 6.8176 |
| CLogS | -6.017 |
| H Acceptors | 2 |
| H Donors | 1 |
| TotalSurfaceArea | 242.73 |
| Relative PSA | 0.094632 |
| PolarSurfaceArea | 24.39 |
| Druglikeness | -6.5575 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde; polyhalo aromatic ring |
| Shape Index | 0.58333 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 2 |
| Symmetricatoms | 8 |
| StereoCon |
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1 - N-[(Z)-(4-bromophenyl)methylideneamino]-2,3,5,6-tetrafluoro-4-(trifluoromethyl)aniline | 2 - N-[(Z)-(4-bromophenyl)methylideneamino]-2,3,5,6-tetrafluoro-4-(trifluoromethyl)aniline
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