2-(2-bromophenoxy)-N-[(Z)-furan-2-ylmethylideneamino]acetamide
Formula:C13H11N2O3Br
Mutagenic:high
Tumorigenic:none
Reproductive Effective:low
2-(2-bromophenoxy)-N-[(Z)-furan-2-ylmethylideneamino]acetamide is a drug-like molecule.
| MolName | 2-(2-bromophenoxy)-N-[(Z)-furan-2-ylmethylideneamino]acetamide |
| MolecularFormula | C13H11N2O3Br |
| Smiles | O=C(COc(cccc1)c1Br)N/N=C\c1ccco1 |
| InChI | InChI=1S/C13H11BrN2O3/c14-11-5-1-2-6-12(11)19-9-13(17)16-15-8-10-4-3-7-18-10/h1-8H,9H2,(H,16,17) |
| InChIK | GVGKXINKECVGPA-UHFFFAOYSA-N |
| TotalMolweight | 323.145 |
| Molweight | 323.145 |
| MonoisotopicMass | 321.995304 |
| CLogP | 2.6904 |
| CLogS | -4.017 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 219.07 |
| Relative PSA | 0.27443 |
| PolarSurfaceArea | 63.83 |
| Druglikeness | 2.3544 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.68421 |
| Fragments | 1 |
| Non HAtoms | 19 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 2 |
| StereoCon |
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