N-[(Z)-(5-chlorofuran-2-yl)methylideneamino]-2-(5,7-dibromoquinolin-8-yl)oxyacetamide
Formula:C16H10N3O3Br2Cl
Mutagenic:high
Tumorigenic:high
Reproductive Effective:high
N-[(Z)-(5-chlorofuran-2-yl)methylideneamino]-2-(5,7-dibromoquinolin-8-yl)oxyacetamide is a drug-like molecule.
| MolName | N-[(Z)-(5-chlorofuran-2-yl)methylideneamino]-2-(5,7-dibromoquinolin-8-yl)oxyacetamide |
| MolecularFormula | C16H10N3O3Br2Cl |
| Smiles | O=C(COc(c1ncccc1c(Br)c1)c1Br)N/N=C\c(o1)ccc1Cl |
| InChI | InChI=1S/C16H10Br2ClN3O3/c17-11-6-12(18)16(15-10(11)2-1-5-20-15)24-8-14(23)22-21-7-9-3-4-13(19)25-9/h1-7H,8H2,(H,22,23) |
| InChIK | JOWKNBWXZZKJKX-UHFFFAOYSA-N |
| TotalMolweight | 487.534 |
| Molweight | 487.534 |
| MonoisotopicMass | 484.877741 |
| CLogP | 4.435 |
| CLogS | -6.056 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 286.48 |
| Relative PSA | 0.24815 |
| PolarSurfaceArea | 76.72 |
| Druglikeness | 2.2859 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.6 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 15 |
| Sp3Atoms | 2 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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