N-[(Z)-thiophen-2-ylmethylideneamino]-2-(2,4,6-tribromophenoxy)acetamide
Formula:C13H9N2O2Br3S
Mutagenic:low
Tumorigenic:none
Reproductive Effective:high
N-[(Z)-thiophen-2-ylmethylideneamino]-2-(2,4,6-tribromophenoxy)acetamide is a drug-like molecule.
| MolName | N-[(Z)-thiophen-2-ylmethylideneamino]-2-(2,4,6-tribromophenoxy)acetamide |
| MolecularFormula | C13H9N2O2Br3S |
| Smiles | O=C(COc(c(Br)cc(Br)c1)c1Br)N/N=C\c1cccs1 |
| InChI | InChI=1S/C13H9Br3N2O2S/c14-8-4-10(15)13(11(16)5-8)20-7-12(19)18-17-6-9-2-1-3-21-9/h1-6H,7H2,(H,18,19) |
| InChIK | IROIIQCNMISTDD-UHFFFAOYSA-N |
| TotalMolweight | 497.004 |
| Molweight | 497.004 |
| MonoisotopicMass | 493.793481 |
| CLogP | 4.8187 |
| CLogS | -6.013 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 262.58 |
| Relative PSA | 0.25276 |
| PolarSurfaceArea | 78.93 |
| Druglikeness | 4.0547 |
| Mutagenic | low |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde; polyhalo aromatic ring |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 2 |
| Symmetricatoms | 3 |
| StereoCon |
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