N-[(Z)-(4,5-dibromofuran-2-yl)methylideneamino]-2-naphthalen-1-ylacetamide
Formula:C17H12N2O2Br2
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
N-[(Z)-(4,5-dibromofuran-2-yl)methylideneamino]-2-naphthalen-1-ylacetamide is not a drug-like molecule.
| MolName | N-[(Z)-(4,5-dibromofuran-2-yl)methylideneamino]-2-naphthalen-1-ylacetamide |
| MolecularFormula | C17H12N2O2Br2 |
| Smiles | O=C(Cc1cccc2ccccc12)N/N=C\c(o1)cc(Br)c1Br |
| InChI | InChI=1S/C17H12Br2N2O2/c18-15-9-13(23-17(15)19)10-20-21-16(22)8-12-6-3-5-11-4-1-2-7-14(11)12/h1-7,9-10H,8H2,(H,21,22) |
| InChIK | DCJUYNNAYSSIRF-UHFFFAOYSA-N |
| TotalMolweight | 436.102 |
| Molweight | 436.102 |
| MonoisotopicMass | 433.92655 |
| CLogP | 5.1306 |
| CLogS | -6.405 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 262.3 |
| Relative PSA | 0.19108 |
| 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 | 0.6087 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 15 |
| Sp3Atoms | 1 |
| StereoCon |
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