N-[(Z)-(4,5-dibromofuran-2-yl)methylideneamino]-2-phenylacetamide
Formula:C13H10N2O2Br2
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(4,5-dibromofuran-2-yl)methylideneamino]-2-phenylacetamide is a drug-like molecule.
| MolName | N-[(Z)-(4,5-dibromofuran-2-yl)methylideneamino]-2-phenylacetamide |
| MolecularFormula | C13H10N2O2Br2 |
| Smiles | O=C(Cc1ccccc1)N/N=C\c(o1)cc(Br)c1Br |
| InChI | InChI=1S/C13H10Br2N2O2/c14-11-7-10(19-13(11)15)8-16-17-12(18)6-9-4-2-1-3-5-9/h1-5,7-8H,6H2,(H,17,18) |
| InChIK | LCZPELWZGAUFTQ-UHFFFAOYSA-N |
| TotalMolweight | 386.042 |
| Molweight | 386.042 |
| MonoisotopicMass | 383.9109 |
| CLogP | 3.9362 |
| CLogS | -4.799 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 227.7 |
| Relative PSA | 0.22011 |
| PolarSurfaceArea | 54.6 |
| Druglikeness | -0.88807 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | 1,2-dihalo-alkene; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.68421 |
| Fragments | 1 |
| Non HAtoms | 19 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| StereoCon |
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1 - N-[(Z)-(4,5-dibromofuran-2-yl)methylideneamino]-2-phenylacetamide | 2 - N-[(Z)-(4,5-dibromofuran-2-yl)methylideneamino]-2-phenylacetamide
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