N-[(Z)-benzylideneamino]-2-(2,4,5-tribromoimidazol-1-yl)acetamide
Formula:C12H9N4OBr3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-benzylideneamino]-2-(2,4,5-tribromoimidazol-1-yl)acetamide is a drug-like molecule.
| MolName | N-[(Z)-benzylideneamino]-2-(2,4,5-tribromoimidazol-1-yl)acetamide |
| MolecularFormula | C12H9N4OBr3 |
| Smiles | O=C(Cn1c(Br)nc(Br)c1Br)N/N=C\c1ccccc1 |
| InChI | InChI=1S/C12H9Br3N4O/c13-10-11(14)19(12(15)17-10)7-9(20)18-16-6-8-4-2-1-3-5-8/h1-6H,7H2,(H,18,20) |
| InChIK | CSILVJQTJCCPLF-UHFFFAOYSA-N |
| TotalMolweight | 464.942 |
| Molweight | 464.942 |
| MonoisotopicMass | 461.832644 |
| CLogP | 3.6017 |
| CLogS | -3.463 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 244.6 |
| Relative PSA | 0.22016 |
| PolarSurfaceArea | 59.28 |
| Druglikeness | 2.9427 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | 1,2-dihalo-alkene; acyl-hydrazone; imine/hydrazone of aldehyde; polyhalo aromatic ring |
| Shape Index | 0.65 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 2 |
| BasicNitrogens | 1 |
| StereoCon |
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