N-[(Z)-(5-bromo-2-phenylmethoxyphenyl)methylideneamino]-2,3,5,6-tetrafluoro-4-(trifluoromethyl)aniline
Formula:C21H12N2OBrF7
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(5-bromo-2-phenylmethoxyphenyl)methylideneamino]-2,3,5,6-tetrafluoro-4-(trifluoromethyl)aniline is not a drug-like molecule.
| MolName | N-[(Z)-(5-bromo-2-phenylmethoxyphenyl)methylideneamino]-2,3,5,6-tetrafluoro-4-(trifluoromethyl)aniline |
| MolecularFormula | C21H12N2OBrF7 |
| Smiles | FC(c(c(F)c(c(N/N=C\c(cc(cc1)Br)c1OCc1ccccc1)c1F)F)c1F)(F)F |
| InChI | InChI=1S/C21H12BrF7N2O/c22-13-6-7-14(32-10-11-4-2-1-3-5-11)12(8-13)9-30-31-20-18(25)16(23)15(21(27,28)29)17(24)19(20)26/h1-9,31H,10H2 |
| InChIK | QZNKQZCDALAJRZ-UHFFFAOYSA-N |
| TotalMolweight | 521.229 |
| Molweight | 521.229 |
| MonoisotopicMass | 520.00212 |
| CLogP | 8.1657 |
| CLogS | -7.358 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 326.25 |
| Relative PSA | 0.10106 |
| PolarSurfaceArea | 33.62 |
| Druglikeness | -7.3512 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde; polyhalo aromatic ring |
| Shape Index | 0.53125 |
| Fragments | 1 |
| Non HAtoms | 32 |
| NonCHAtoms | 11 |
| Electronegative Atoms | 11 |
| Rotatable Bond | 7 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 4 |
| Symmetricatoms | 8 |
| StereoCon |
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1 - N-[(Z)-(5-bromo-2-phenylmethoxyphenyl)methylideneamino]-2,3,5,6-tetrafluoro-4-(trifluoromethyl)aniline | 2 - N-[(Z)-(5-bromo-2-phenylmethoxyphenyl)methylideneamino]-2,3,5,6-tetrafluoro-4-(trifluoromethyl)aniline
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