2,3,4,5,6-pentafluoro-N-[(Z)-(3-phenylmethoxyphenyl)methylideneamino]aniline
Formula:C20H13N2OF5
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2,3,4,5,6-pentafluoro-N-[(Z)-(3-phenylmethoxyphenyl)methylideneamino]aniline is not a drug-like molecule.
| MolName | 2,3,4,5,6-pentafluoro-N-[(Z)-(3-phenylmethoxyphenyl)methylideneamino]aniline |
| MolecularFormula | C20H13N2OF5 |
| Smiles | Fc(c(N/N=C\c1cc(OCc2ccccc2)ccc1)c(c(F)c1F)F)c1F |
| InChI | InChI=1S/C20H13F5N2O/c21-15-16(22)18(24)20(19(25)17(15)23)27-26-10-13-7-4-8-14(9-13)28-11-12-5-2-1-3-6-12/h1-10,27H,11H2 |
| InChIK | XVWAILMYYOSIDQ-UHFFFAOYSA-N |
| TotalMolweight | 392.326 |
| Molweight | 392.326 |
| MonoisotopicMass | 392.094803 |
| CLogP | 6.693 |
| CLogS | -6.06 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 284.51 |
| Relative PSA | 0.11588 |
| PolarSurfaceArea | 33.62 |
| Druglikeness | 0.28884 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde; polyhalo aromatic ring |
| Shape Index | 0.60714 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 3 |
| Symmetricatoms | 6 |
| StereoCon |
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1 - 2,3,4,5,6-pentafluoro-N-[(Z)-(3-phenylmethoxyphenyl)methylideneamino]aniline | 2 - 2,3,4,5,6-pentafluoro-N-[(Z)-(3-phenylmethoxyphenyl)methylideneamino]aniline
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