N-[(Z)-[2-[(4-fluorophenyl)methoxy]naphthalen-1-yl]methylideneamino]-3-(trifluoromethyl)benzamide
Formula:C26H18N2O2F4
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
N-[(Z)-[2-[(4-fluorophenyl)methoxy]naphthalen-1-yl]methylideneamino]-3-(trifluoromethyl)benzamide is not a drug-like molecule.
| MolName | N-[(Z)-[2-[(4-fluorophenyl)methoxy]naphthalen-1-yl]methylideneamino]-3-(trifluoromethyl)benzamide |
| MolecularFormula | C26H18N2O2F4 |
| Smiles | O=C(c1cc(C(F)(F)F)ccc1)N/N=C\c(c1ccccc1cc1)c1OCc(cc1)ccc1F |
| InChI | InChI=1S/C26H18F4N2O2/c27-21-11-8-17(9-12-21)16-34-24-13-10-18-4-1-2-7-22(18)23(24)15-31-32-25(33)19-5-3-6-20(14-19)26(28,29)30/h1-15H,16H2,(H,32,33) |
| InChIK | YVIKMOFBVCZUNP-UHFFFAOYSA-N |
| TotalMolweight | 466.433 |
| Molweight | 466.433 |
| MonoisotopicMass | 466.13044 |
| CLogP | 6.6932 |
| CLogS | -7.76 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 340.92 |
| Relative PSA | 0.13496 |
| PolarSurfaceArea | 50.69 |
| Druglikeness | -3.1695 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.52941 |
| Fragments | 1 |
| Non HAtoms | 34 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 7 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 22 |
| Sp3Atoms | 3 |
| Symmetricatoms | 4 |
| StereoCon |
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