2,3,4,5,6-pentafluoro-N-[(Z)-[4-[(3-fluorophenyl)methoxy]phenyl]methylideneamino]aniline
Formula:C20H12N2OF6
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2,3,4,5,6-pentafluoro-N-[(Z)-[4-[(3-fluorophenyl)methoxy]phenyl]methylideneamino]aniline is not a drug-like molecule.
| MolName | 2,3,4,5,6-pentafluoro-N-[(Z)-[4-[(3-fluorophenyl)methoxy]phenyl]methylideneamino]aniline |
| MolecularFormula | C20H12N2OF6 |
| Smiles | Fc1cccc(COc2ccc(/C=N\Nc(c(F)c(c(F)c3F)F)c3F)cc2)c1 |
| InChI | InChI=1S/C20H12F6N2O/c21-13-3-1-2-12(8-13)10-29-14-6-4-11(5-7-14)9-27-28-20-18(25)16(23)15(22)17(24)19(20)26/h1-9,28H,10H2 |
| InChIK | LREQXIUJBFAXSJ-UHFFFAOYSA-N |
| TotalMolweight | 410.316 |
| Molweight | 410.316 |
| MonoisotopicMass | 410.085381 |
| CLogP | 6.7938 |
| CLogS | -6.374 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 290.86 |
| Relative PSA | 0.11335 |
| 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 | 0.62069 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| 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)-[4-[(3-fluorophenyl)methoxy]phenyl]methylideneamino]aniline | 2 - 2,3,4,5,6-pentafluoro-N-[(Z)-[4-[(3-fluorophenyl)methoxy]phenyl]methylideneamino]aniline
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