2-(2,4,6-tribromophenoxy)-N-[(Z)-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylideneamino]acetamide
Formula:C20H12N2O3Br3F3
Mutagenic:high
Tumorigenic:high
Reproductive Effective:high
2-(2,4,6-tribromophenoxy)-N-[(Z)-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylideneamino]acetamide is not a drug-like molecule.
| MolName | 2-(2,4,6-tribromophenoxy)-N-[(Z)-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylideneamino]acetamide |
| MolecularFormula | C20H12N2O3Br3F3 |
| Smiles | O=C(COc(c(Br)cc(Br)c1)c1Br)N/N=C\c1ccc(-c2cc(C(F)(F)F)ccc2)o1 |
| InChI | InChI=1S/C20H12Br3F3N2O3/c21-13-7-15(22)19(16(23)8-13)30-10-18(29)28-27-9-14-4-5-17(31-14)11-2-1-3-12(6-11)20(24,25)26/h1-9H,10H2,(H,28,29) |
| InChIK | VAXWVDISWDHKMI-UHFFFAOYSA-N |
| TotalMolweight | 625.032 |
| Molweight | 625.032 |
| MonoisotopicMass | 621.83501 |
| CLogP | 6.7393 |
| CLogS | -8.241 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 345.55 |
| Relative PSA | 0.17398 |
| PolarSurfaceArea | 63.83 |
| Druglikeness | -2.5797 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde; polyhalo aromatic ring |
| Shape Index | 0.6129 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 11 |
| Electronegative Atoms | 11 |
| Rotatable Bond | 7 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 3 |
| Symmetricatoms | 5 |
| StereoCon |
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1 - 2-(2,4,6-tribromophenoxy)-N-[(Z)-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylideneamino]acetamide | 2 - 2-(2,4,6-tribromophenoxy)-N-[(Z)-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylideneamino]acetamide
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