2-(4-bromo-2-cyanophenoxy)-N-[(Z)-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylideneamino]acetamide
Formula:C21H13N3O3BrF3
Mutagenic:high
Tumorigenic:high
Reproductive Effective:low
2-(4-bromo-2-cyanophenoxy)-N-[(Z)-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylideneamino]acetamide is not a drug-like molecule.
| MolName | 2-(4-bromo-2-cyanophenoxy)-N-[(Z)-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylideneamino]acetamide |
| MolecularFormula | C21H13N3O3BrF3 |
| Smiles | N#Cc(cc(cc1)Br)c1OCC(N/N=C\c1ccc(-c2cc(C(F)(F)F)ccc2)o1)=O |
| InChI | InChI=1S/C21H13BrF3N3O3/c22-16-4-6-18(14(9-16)10-26)30-12-20(29)28-27-11-17-5-7-19(31-17)13-2-1-3-15(8-13)21(23,24)25/h1-9,11H,12H2,(H,28,29) |
| InChIK | GHQHVYJMIJNTSV-UHFFFAOYSA-N |
| TotalMolweight | 492.25 |
| Molweight | 492.25 |
| MonoisotopicMass | 491.009237 |
| CLogP | 5.1245 |
| CLogS | -7.346 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 330 |
| Relative PSA | 0.22327 |
| PolarSurfaceArea | 87.62 |
| Druglikeness | -6.8597 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.6129 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 7 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 3 |
| Symmetricatoms | 2 |
| StereoCon |
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1 - 2-(4-bromo-2-cyanophenoxy)-N-[(Z)-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylideneamino]acetamide | 2 - 2-(4-bromo-2-cyanophenoxy)-N-[(Z)-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylideneamino]acetamide
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