5-[(2,4-dichlorophenoxy)methyl]-N-[(Z)-[4-(trifluoromethyl)phenyl]methylideneamino]furan-2-carboxamide
Formula:C20H13N2O3Cl2F3
Mutagenic:high
Tumorigenic:high
Reproductive Effective:high
5-[(2,4-dichlorophenoxy)methyl]-N-[(Z)-[4-(trifluoromethyl)phenyl]methylideneamino]furan-2-carboxamide is not a drug-like molecule.
| MolName | 5-[(2,4-dichlorophenoxy)methyl]-N-[(Z)-[4-(trifluoromethyl)phenyl]methylideneamino]furan-2-carboxamide |
| MolecularFormula | C20H13N2O3Cl2F3 |
| Smiles | O=C(c1ccc(COc(ccc(Cl)c2)c2Cl)o1)N/N=C\c1ccc(C(F)(F)F)cc1 |
| InChI | InChI=1S/C20H13Cl2F3N2O3/c21-14-5-7-17(16(22)9-14)29-11-15-6-8-18(30-15)19(28)27-26-10-12-1-3-13(4-2-12)20(23,24)25/h1-10H,11H2,(H,27,28) |
| InChIK | JLFVCDBDXQLBDS-UHFFFAOYSA-N |
| TotalMolweight | 457.234 |
| Molweight | 457.234 |
| MonoisotopicMass | 456.025531 |
| CLogP | 5.8527 |
| CLogS | -7.018 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 320.5 |
| Relative PSA | 0.18758 |
| PolarSurfaceArea | 63.83 |
| Druglikeness | -1.7557 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | high |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 7 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 3 |
| Symmetricatoms | 4 |
| StereoCon |
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