2-(4-bromophenoxy)-N-[(Z)-(5-bromothiophen-2-yl)methylideneamino]acetamide
Formula:C13H10N2O2Br2S
Mutagenic:low
Tumorigenic:none
Reproductive Effective:none
2-(4-bromophenoxy)-N-[(Z)-(5-bromothiophen-2-yl)methylideneamino]acetamide is a drug-like molecule.
| MolName | 2-(4-bromophenoxy)-N-[(Z)-(5-bromothiophen-2-yl)methylideneamino]acetamide |
| MolecularFormula | C13H10N2O2Br2S |
| Smiles | O=C(COc(cc1)ccc1Br)N/N=C\c(s1)ccc1Br |
| InChI | InChI=1S/C13H10Br2N2O2S/c14-9-1-3-10(4-2-9)19-8-13(18)17-16-7-11-5-6-12(15)20-11/h1-7H,8H2,(H,17,18) |
| InChIK | SOUGCAIDIXBRIO-UHFFFAOYSA-N |
| TotalMolweight | 418.108 |
| Molweight | 418.108 |
| MonoisotopicMass | 415.88297 |
| CLogP | 4.2982 |
| CLogS | -5.196 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 243.95 |
| Relative PSA | 0.27206 |
| PolarSurfaceArea | 78.93 |
| Druglikeness | 2.1283 |
| Mutagenic | low |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.75 |
| 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 |
| Symmetricatoms | 2 |
| StereoCon |
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