2-(4-bromonaphthalen-1-yl)-N-[(Z)-(4,5-dibromofuran-2-yl)methylideneamino]acetamide
Formula:C17H11N2O2Br3
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
2-(4-bromonaphthalen-1-yl)-N-[(Z)-(4,5-dibromofuran-2-yl)methylideneamino]acetamide is not a drug-like molecule.
| MolName | 2-(4-bromonaphthalen-1-yl)-N-[(Z)-(4,5-dibromofuran-2-yl)methylideneamino]acetamide |
| MolecularFormula | C17H11N2O2Br3 |
| Smiles | O=C(Cc(c1ccccc11)ccc1Br)N/N=C\c(o1)cc(Br)c1Br |
| InChI | InChI=1S/C17H11Br3N2O2/c18-14-6-5-10(12-3-1-2-4-13(12)14)7-16(23)22-21-9-11-8-15(19)17(20)24-11/h1-6,8-9H,7H2,(H,22,23) |
| InChIK | UUCOONIYDUVSJP-UHFFFAOYSA-N |
| TotalMolweight | 514.998 |
| Molweight | 514.998 |
| MonoisotopicMass | 511.837061 |
| CLogP | 5.8558 |
| CLogS | -7.239 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 280.93 |
| Relative PSA | 0.17841 |
| PolarSurfaceArea | 54.6 |
| Druglikeness | -0.88807 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | 1,2-dihalo-alkene; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.58333 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 15 |
| Sp3Atoms | 1 |
| StereoCon |
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1 - 2-(4-bromonaphthalen-1-yl)-N-[(Z)-(4,5-dibromofuran-2-yl)methylideneamino]acetamide | 2 - 2-(4-bromonaphthalen-1-yl)-N-[(Z)-(4,5-dibromofuran-2-yl)methylideneamino]acetamide
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