2,3,5,6-tetrafluoro-N-[(Z)-[3-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]-4-(trifluoromethyl)aniline
Formula:C25H15N2OF7
Mutagenic:low
Tumorigenic:high
Reproductive Effective:none
2,3,5,6-tetrafluoro-N-[(Z)-[3-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]-4-(trifluoromethyl)aniline is not a drug-like molecule.
| MolName | 2,3,5,6-tetrafluoro-N-[(Z)-[3-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]-4-(trifluoromethyl)aniline |
| MolecularFormula | C25H15N2OF7 |
| Smiles | FC(c(c(F)c(c(N/N=C\c1cc(OCc2cccc3ccccc23)ccc1)c1F)F)c1F)(F)F |
| InChI | InChI=1S/C25H15F7N2O/c26-20-19(25(30,31)32)21(27)23(29)24(22(20)28)34-33-12-14-5-3-9-17(11-14)35-13-16-8-4-7-15-6-1-2-10-18(15)16/h1-12,34H,13H2 |
| InChIK | KNLDNKRYMCJLMN-UHFFFAOYSA-N |
| TotalMolweight | 492.393 |
| Molweight | 492.393 |
| MonoisotopicMass | 492.107259 |
| CLogP | 8.6349 |
| CLogS | -8.13 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 342.22 |
| Relative PSA | 0.096342 |
| PolarSurfaceArea | 33.62 |
| Druglikeness | -5.5612 |
| Mutagenic | low |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde; polyhalo aromatic ring |
| Shape Index | 0.54286 |
| Fragments | 1 |
| Non HAtoms | 35 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 7 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 22 |
| Sp3Atoms | 4 |
| Symmetricatoms | 6 |
| StereoCon |
Click to Load Molecule:
1 - 2,3,5,6-tetrafluoro-N-[(Z)-[3-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]-4-(trifluoromethyl)aniline | 2 - 2,3,5,6-tetrafluoro-N-[(Z)-[3-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]-4-(trifluoromethyl)aniline
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off