2,3,5,6-tetrafluoro-N-[(Z)-(2-phenylmethoxyphenyl)methylideneamino]-4-(trifluoromethyl)aniline
Formula:C21H13N2OF7
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2,3,5,6-tetrafluoro-N-[(Z)-(2-phenylmethoxyphenyl)methylideneamino]-4-(trifluoromethyl)aniline is not a drug-like molecule.
| MolName | 2,3,5,6-tetrafluoro-N-[(Z)-(2-phenylmethoxyphenyl)methylideneamino]-4-(trifluoromethyl)aniline |
| MolecularFormula | C21H13N2OF7 |
| Smiles | FC(c(c(F)c(c(N/N=C\c(cccc1)c1OCc1ccccc1)c1F)F)c1F)(F)F |
| InChI | InChI=1S/C21H13F7N2O/c22-16-15(21(26,27)28)17(23)19(25)20(18(16)24)30-29-10-13-8-4-5-9-14(13)31-11-12-6-2-1-3-7-12/h1-10,30H,11H2 |
| InChIK | FHIZGPPMNQEYQC-UHFFFAOYSA-N |
| TotalMolweight | 442.333 |
| Molweight | 442.333 |
| MonoisotopicMass | 442.091609 |
| CLogP | 7.4405 |
| CLogS | -6.524 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 307.62 |
| Relative PSA | 0.10718 |
| PolarSurfaceArea | 33.62 |
| Druglikeness | -5.5612 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde; polyhalo aromatic ring |
| Shape Index | 0.54839 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 7 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 4 |
| Symmetricatoms | 8 |
| StereoCon |
Click to Load Molecule:
1 - 2,3,5,6-tetrafluoro-N-[(Z)-(2-phenylmethoxyphenyl)methylideneamino]-4-(trifluoromethyl)aniline | 2 - 2,3,5,6-tetrafluoro-N-[(Z)-(2-phenylmethoxyphenyl)methylideneamino]-4-(trifluoromethyl)aniline
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off