2-(2-bromo-4-iodoanilino)-N-[(Z)-(4-fluorophenyl)methylideneamino]acetamide
Formula:C15H12N3OBrFI
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-(2-bromo-4-iodoanilino)-N-[(Z)-(4-fluorophenyl)methylideneamino]acetamide is a drug-like molecule.
| MolName | 2-(2-bromo-4-iodoanilino)-N-[(Z)-(4-fluorophenyl)methylideneamino]acetamide |
| MolecularFormula | C15H12N3OBrFI |
| Smiles | O=C(CNc(ccc(I)c1)c1Br)N/N=C\c(cc1)ccc1F |
| InChI | InChI=1S/C15H12BrFIN3O/c16-13-7-12(18)5-6-14(13)19-9-15(22)21-20-8-10-1-3-11(17)4-2-10/h1-8,19H,9H2,(H,21,22) |
| InChIK | NESJVQQMVWPYPI-UHFFFAOYSA-N |
| TotalMolweight | 476.082 |
| Molweight | 476.082 |
| MonoisotopicMass | 474.919249 |
| CLogP | 3.7566 |
| CLogS | -5.707 |
| H Acceptors | 4 |
| H Donors | 2 |
| TotalSurfaceArea | 263.47 |
| Relative PSA | 0.18017 |
| PolarSurfaceArea | 53.49 |
| Druglikeness | 2.3186 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.72727 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| Amines | 1 |
| Aromatic Amines | 1 |
| StereoCon |
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1 - 2-(2-bromo-4-iodoanilino)-N-[(Z)-(4-fluorophenyl)methylideneamino]acetamide | 2 - 2-(2-bromo-4-iodoanilino)-N-[(Z)-(4-fluorophenyl)methylideneamino]acetamide
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