2-(2,6-dibromo-4-chloroanilino)-N-[(Z)-(4-fluorophenyl)methylideneamino]acetamide
Formula:C15H11N3OBr2ClF
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-(2,6-dibromo-4-chloroanilino)-N-[(Z)-(4-fluorophenyl)methylideneamino]acetamide is a drug-like molecule.
| MolName | 2-(2,6-dibromo-4-chloroanilino)-N-[(Z)-(4-fluorophenyl)methylideneamino]acetamide |
| MolecularFormula | C15H11N3OBr2ClF |
| Smiles | O=C(CNc(c(Br)cc(Cl)c1)c1Br)N/N=C\c(cc1)ccc1F |
| InChI | InChI=1S/C15H11Br2ClFN3O/c16-12-5-10(18)6-13(17)15(12)20-8-14(23)22-21-7-9-1-3-11(19)4-2-9/h1-7,20H,8H2,(H,22,23) |
| InChIK | QQNSPSHTQCMLBF-UHFFFAOYSA-N |
| TotalMolweight | 463.531 |
| Molweight | 463.531 |
| MonoisotopicMass | 460.894139 |
| CLogP | 4.6507 |
| CLogS | -6.261 |
| H Acceptors | 4 |
| H Donors | 2 |
| TotalSurfaceArea | 271.24 |
| Relative PSA | 0.17501 |
| PolarSurfaceArea | 53.49 |
| Druglikeness | 1.9157 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde; polyhalo aromatic ring |
| Shape Index | 0.69565 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 2 |
| Symmetricatoms | 5 |
| Amines | 1 |
| Aromatic Amines | 1 |
| StereoCon |
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1 - 2-(2,6-dibromo-4-chloroanilino)-N-[(Z)-(4-fluorophenyl)methylideneamino]acetamide | 2 - 2-(2,6-dibromo-4-chloroanilino)-N-[(Z)-(4-fluorophenyl)methylideneamino]acetamide
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