N-[(Z)-[2-[(3,4-dichlorophenyl)methoxy]naphthalen-1-yl]methylideneamino]-2,3,5,6-tetrafluoro-4-(trifluoromethyl)aniline
Formula:C25H13N2OCl2F7
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
N-[(Z)-[2-[(3,4-dichlorophenyl)methoxy]naphthalen-1-yl]methylideneamino]-2,3,5,6-tetrafluoro-4-(trifluoromethyl)aniline is not a drug-like molecule.
| MolName | N-[(Z)-[2-[(3,4-dichlorophenyl)methoxy]naphthalen-1-yl]methylideneamino]-2,3,5,6-tetrafluoro-4-(trifluoromethyl)aniline |
| MolecularFormula | C25H13N2OCl2F7 |
| Smiles | FC(c(c(F)c(c(N/N=C\c(c1ccccc1cc1)c1OCc(cc1)cc(Cl)c1Cl)c1F)F)c1F)(F)F |
| InChI | InChI=1S/C25H13Cl2F7N2O/c26-16-7-5-12(9-17(16)27)11-37-18-8-6-13-3-1-2-4-14(13)15(18)10-35-36-24-22(30)20(28)19(25(32,33)34)21(29)23(24)31/h1-10,36H,11H2 |
| InChIK | LCUXITNUTBMNPB-UHFFFAOYSA-N |
| TotalMolweight | 561.283 |
| Molweight | 561.283 |
| MonoisotopicMass | 560.029313 |
| CLogP | 9.8469 |
| CLogS | -9.602 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 373.06 |
| Relative PSA | 0.088377 |
| 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 | 0.48649 |
| Fragments | 1 |
| Non HAtoms | 37 |
| NonCHAtoms | 12 |
| Electronegative Atoms | 12 |
| 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-[(3,4-dichlorophenyl)methoxy]naphthalen-1-yl]methylideneamino]-2,3,5,6-tetrafluoro-4-(trifluoromethyl)aniline | 2 - N-[(Z)-[2-[(3,4-dichlorophenyl)methoxy]naphthalen-1-yl]methylideneamino]-2,3,5,6-tetrafluoro-4-(trifluoromethyl)aniline
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