2,3,4,5,6-pentafluoro-N-[(Z)-[3-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]aniline
Formula:C24H15N2OF5
Mutagenic:low
Tumorigenic:high
Reproductive Effective:none
2,3,4,5,6-pentafluoro-N-[(Z)-[3-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]aniline is not a drug-like molecule.
| MolName | 2,3,4,5,6-pentafluoro-N-[(Z)-[3-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]aniline |
| MolecularFormula | C24H15N2OF5 |
| Smiles | Fc(c(N/N=C\c1cc(OCc2cccc3ccccc23)ccc1)c(c(F)c1F)F)c1F |
| InChI | InChI=1S/C24H15F5N2O/c25-19-20(26)22(28)24(23(29)21(19)27)31-30-12-14-5-3-9-17(11-14)32-13-16-8-4-7-15-6-1-2-10-18(15)16/h1-12,31H,13H2 |
| InChIK | GIFGRDQITJPSOR-UHFFFAOYSA-N |
| TotalMolweight | 442.386 |
| Molweight | 442.386 |
| MonoisotopicMass | 442.110453 |
| CLogP | 7.8874 |
| CLogS | -7.666 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 319.11 |
| Relative PSA | 0.10332 |
| PolarSurfaceArea | 33.62 |
| Druglikeness | 0.28884 |
| Mutagenic | low |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde; polyhalo aromatic ring |
| Shape Index | 0.5625 |
| Fragments | 1 |
| Non HAtoms | 32 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 6 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 22 |
| Sp3Atoms | 3 |
| Symmetricatoms | 4 |
| StereoCon |
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1 - 2,3,4,5,6-pentafluoro-N-[(Z)-[3-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]aniline | 2 - 2,3,4,5,6-pentafluoro-N-[(Z)-[3-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]aniline
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