N-[(Z)-(5-bromofuran-2-yl)methylideneamino]-2-(2-bromophenoxy)acetamide
Formula:C13H10N2O3Br2
Mutagenic:high
Tumorigenic:high
Reproductive Effective:low
N-[(Z)-(5-bromofuran-2-yl)methylideneamino]-2-(2-bromophenoxy)acetamide is a drug-like molecule.
| MolName | N-[(Z)-(5-bromofuran-2-yl)methylideneamino]-2-(2-bromophenoxy)acetamide |
| MolecularFormula | C13H10N2O3Br2 |
| Smiles | O=C(COc(cccc1)c1Br)N/N=C\c(o1)ccc1Br |
| InChI | InChI=1S/C13H10Br2N2O3/c14-10-3-1-2-4-11(10)19-8-13(18)17-16-7-9-5-6-12(15)20-9/h1-7H,8H2,(H,17,18) |
| InChIK | DMRYBGUAGJBMDS-UHFFFAOYSA-N |
| TotalMolweight | 402.041 |
| Molweight | 402.041 |
| MonoisotopicMass | 399.905815 |
| CLogP | 3.513 |
| CLogS | -4.614 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 237.7 |
| Relative PSA | 0.25292 |
| PolarSurfaceArea | 63.83 |
| Druglikeness | 3.1003 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.7 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 2 |
| StereoCon |
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