2-(3-bromoanilino)-N-[(Z)-(3-bromophenyl)methylideneamino]acetamide
Formula:C15H13N3OBr2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-(3-bromoanilino)-N-[(Z)-(3-bromophenyl)methylideneamino]acetamide is a drug-like molecule.
| MolName | 2-(3-bromoanilino)-N-[(Z)-(3-bromophenyl)methylideneamino]acetamide |
| MolecularFormula | C15H13N3OBr2 |
| Smiles | O=C(CNc1cccc(Br)c1)N/N=C\c1cc(Br)ccc1 |
| InChI | InChI=1S/C15H13Br2N3O/c16-12-4-1-3-11(7-12)9-19-20-15(21)10-18-14-6-2-5-13(17)8-14/h1-9,18H,10H2,(H,20,21) |
| InChIK | LSXINADVPAXELL-UHFFFAOYSA-N |
| TotalMolweight | 411.096 |
| Molweight | 411.096 |
| MonoisotopicMass | 408.942534 |
| CLogP | 3.9439 |
| CLogS | -5.211 |
| H Acceptors | 4 |
| H Donors | 2 |
| TotalSurfaceArea | 249.47 |
| Relative PSA | 0.19028 |
| PolarSurfaceArea | 53.49 |
| Druglikeness | 3.2401 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 1 |
| Amines | 1 |
| Aromatic Amines | 1 |
| StereoCon |
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1 - 2-(3-bromoanilino)-N-[(Z)-(3-bromophenyl)methylideneamino]acetamide | 2 - 2-(3-bromoanilino)-N-[(Z)-(3-bromophenyl)methylideneamino]acetamide
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