N-[(Z)-(3-bromophenyl)methylideneamino]-2-(4-iodoanilino)acetamide
Formula:C15H13N3OBrI
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(3-bromophenyl)methylideneamino]-2-(4-iodoanilino)acetamide is a drug-like molecule.
| MolName | N-[(Z)-(3-bromophenyl)methylideneamino]-2-(4-iodoanilino)acetamide |
| MolecularFormula | C15H13N3OBrI |
| Smiles | O=C(CNc(cc1)ccc1I)N/N=C\c1cc(Br)ccc1 |
| InChI | InChI=1S/C15H13BrIN3O/c16-12-3-1-2-11(8-12)9-19-20-15(21)10-18-14-6-4-13(17)5-7-14/h1-9,18H,10H2,(H,20,21) |
| InChIK | XWDSZCHHLZIMCG-UHFFFAOYSA-N |
| TotalMolweight | 458.092 |
| Molweight | 458.092 |
| MonoisotopicMass | 456.928671 |
| CLogP | 3.6558 |
| CLogS | -5.393 |
| H Acceptors | 4 |
| H Donors | 2 |
| TotalSurfaceArea | 257.12 |
| Relative PSA | 0.18462 |
| PolarSurfaceArea | 53.49 |
| Druglikeness | 3.6586 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.71429 |
| 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 |
| Symmetricatoms | 2 |
| Amines | 1 |
| Aromatic Amines | 1 |
| StereoCon |
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1 - N-[(Z)-(3-bromophenyl)methylideneamino]-2-(4-iodoanilino)acetamide | 2 - N-[(Z)-(3-bromophenyl)methylideneamino]-2-(4-iodoanilino)acetamide
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