N-[(Z)-[2-[(2-chlorophenyl)methoxy]naphthalen-1-yl]methylideneamino]-2,3,5,6-tetrafluoro-4-(trifluoromethyl)aniline
Formula:C25H14N2OClF7
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
N-[(Z)-[2-[(2-chlorophenyl)methoxy]naphthalen-1-yl]methylideneamino]-2,3,5,6-tetrafluoro-4-(trifluoromethyl)aniline is not a drug-like molecule.
| MolName | N-[(Z)-[2-[(2-chlorophenyl)methoxy]naphthalen-1-yl]methylideneamino]-2,3,5,6-tetrafluoro-4-(trifluoromethyl)aniline |
| MolecularFormula | C25H14N2OClF7 |
| Smiles | FC(c(c(F)c(c(N/N=C\c(c1ccccc1cc1)c1OCc(cccc1)c1Cl)c1F)F)c1F)(F)F |
| InChI | InChI=1S/C25H14ClF7N2O/c26-17-8-4-2-6-14(17)12-36-18-10-9-13-5-1-3-7-15(13)16(18)11-34-35-24-22(29)20(27)19(25(31,32)33)21(28)23(24)30/h1-11,35H,12H2 |
| InChIK | VBHFMRFHHGPXIA-UHFFFAOYSA-N |
| TotalMolweight | 526.838 |
| Molweight | 526.838 |
| MonoisotopicMass | 526.068286 |
| CLogP | 9.2409 |
| CLogS | -8.866 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 357.64 |
| Relative PSA | 0.092188 |
| PolarSurfaceArea | 33.62 |
| Druglikeness | -5.5175 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde; polyhalo aromatic ring |
| Shape Index | 0.47222 |
| Fragments | 1 |
| Non HAtoms | 36 |
| NonCHAtoms | 11 |
| Electronegative Atoms | 11 |
| 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 - N-[(Z)-[2-[(2-chlorophenyl)methoxy]naphthalen-1-yl]methylideneamino]-2,3,5,6-tetrafluoro-4-(trifluoromethyl)aniline | 2 - N-[(Z)-[2-[(2-chlorophenyl)methoxy]naphthalen-1-yl]methylideneamino]-2,3,5,6-tetrafluoro-4-(trifluoromethyl)aniline
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