2-(4-bromonaphthalen-1-yl)-N-[(Z)-(5-iodofuran-2-yl)methylideneamino]acetamide
Formula:C17H12N2O2BrI
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
2-(4-bromonaphthalen-1-yl)-N-[(Z)-(5-iodofuran-2-yl)methylideneamino]acetamide is a drug-like molecule.
| MolName | 2-(4-bromonaphthalen-1-yl)-N-[(Z)-(5-iodofuran-2-yl)methylideneamino]acetamide |
| MolecularFormula | C17H12N2O2BrI |
| Smiles | O=C(Cc(c1ccccc11)ccc1Br)N/N=C\c(o1)ccc1I |
| InChI | InChI=1S/C17H12BrIN2O2/c18-15-7-5-11(13-3-1-2-4-14(13)15)9-17(22)21-20-10-12-6-8-16(19)23-12/h1-8,10H,9H2,(H,21,22) |
| InChIK | YFZFDCRWKPPQHQ-UHFFFAOYSA-N |
| TotalMolweight | 483.098 |
| Molweight | 483.098 |
| MonoisotopicMass | 481.912687 |
| CLogP | 4.8425 |
| CLogS | -6.587 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 269.95 |
| Relative PSA | 0.18566 |
| PolarSurfaceArea | 54.6 |
| Druglikeness | 5.0489 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | 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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