N-[(Z)-[4-[(4-iodophenyl)methoxy]phenyl]methylideneamino]-2-[3-(trifluoromethyl)phenyl]acetamide
Formula:C23H18N2O2F3I
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-[4-[(4-iodophenyl)methoxy]phenyl]methylideneamino]-2-[3-(trifluoromethyl)phenyl]acetamide is not a drug-like molecule.
| MolName | N-[(Z)-[4-[(4-iodophenyl)methoxy]phenyl]methylideneamino]-2-[3-(trifluoromethyl)phenyl]acetamide |
| MolecularFormula | C23H18N2O2F3I |
| Smiles | O=C(Cc1cc(C(F)(F)F)ccc1)N/N=C\c(cc1)ccc1OCc(cc1)ccc1I |
| InChI | InChI=1S/C23H18F3IN2O2/c24-23(25,26)19-3-1-2-18(12-19)13-22(30)29-28-14-16-6-10-21(11-7-16)31-15-17-4-8-20(27)9-5-17/h1-12,14H,13,15H2,(H,29,30) |
| InChIK | LFWOHIUFUQPRIV-UHFFFAOYSA-N |
| TotalMolweight | 538.302 |
| Molweight | 538.302 |
| MonoisotopicMass | 538.03651 |
| CLogP | 5.8332 |
| CLogS | -6.821 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 340.01 |
| Relative PSA | 0.13532 |
| PolarSurfaceArea | 50.69 |
| Druglikeness | -2.7267 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.67742 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 8 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 4 |
| Symmetricatoms | 6 |
| StereoCon |
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1 - N-[(Z)-[4-[(4-iodophenyl)methoxy]phenyl]methylideneamino]-2-[3-(trifluoromethyl)phenyl]acetamide | 2 - N-[(Z)-[4-[(4-iodophenyl)methoxy]phenyl]methylideneamino]-2-[3-(trifluoromethyl)phenyl]acetamide
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