N-[(Z)-[2-[(2,4-dichlorophenyl)methoxy]naphthalen-1-yl]methylideneamino]-3-(trifluoromethyl)benzamide
Formula:C26H17N2O2Cl2F3
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
N-[(Z)-[2-[(2,4-dichlorophenyl)methoxy]naphthalen-1-yl]methylideneamino]-3-(trifluoromethyl)benzamide is not a drug-like molecule.
| MolName | N-[(Z)-[2-[(2,4-dichlorophenyl)methoxy]naphthalen-1-yl]methylideneamino]-3-(trifluoromethyl)benzamide |
| MolecularFormula | C26H17N2O2Cl2F3 |
| Smiles | O=C(c1cc(C(F)(F)F)ccc1)N/N=C\c(c1ccccc1cc1)c1OCc(ccc(Cl)c1)c1Cl |
| InChI | InChI=1S/C26H17Cl2F3N2O2/c27-20-10-8-18(23(28)13-20)15-35-24-11-9-16-4-1-2-7-21(16)22(24)14-32-33-25(34)17-5-3-6-19(12-17)26(29,30)31/h1-14H,15H2,(H,33,34) |
| InChIK | FVVCUYIZFXLUFL-UHFFFAOYSA-N |
| TotalMolweight | 517.333 |
| Molweight | 517.333 |
| MonoisotopicMass | 516.061916 |
| CLogP | 7.8044 |
| CLogS | -8.918 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 365.41 |
| Relative PSA | 0.12591 |
| PolarSurfaceArea | 50.69 |
| Druglikeness | -3.1386 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.51429 |
| Fragments | 1 |
| Non HAtoms | 35 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 7 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 22 |
| Sp3Atoms | 3 |
| Symmetricatoms | 2 |
| StereoCon |
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1 - N-[(Z)-[2-[(2,4-dichlorophenyl)methoxy]naphthalen-1-yl]methylideneamino]-3-(trifluoromethyl)benzamide | 2 - N-[(Z)-[2-[(2,4-dichlorophenyl)methoxy]naphthalen-1-yl]methylideneamino]-3-(trifluoromethyl)benzamide
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