N-[(Z)-benzylideneamino]-2-(2,4,5-tribromoanilino)acetamide
Formula:C15H12N3OBr3
Mutagenic:high
Tumorigenic:low
Reproductive Effective:low
N-[(Z)-benzylideneamino]-2-(2,4,5-tribromoanilino)acetamide is a drug-like molecule.
| MolName | N-[(Z)-benzylideneamino]-2-(2,4,5-tribromoanilino)acetamide |
| MolecularFormula | C15H12N3OBr3 |
| Smiles | O=C(CNc(c(Br)c1)cc(Br)c1Br)N/N=C\c1ccccc1 |
| InChI | InChI=1S/C15H12Br3N3O/c16-11-6-13(18)14(7-12(11)17)19-9-15(22)21-20-8-10-4-2-1-3-5-10/h1-8,19H,9H2,(H,21,22) |
| InChIK | DHGBQUUWSGDOME-UHFFFAOYSA-N |
| TotalMolweight | 489.992 |
| Molweight | 489.992 |
| MonoisotopicMass | 486.853045 |
| CLogP | 4.6691 |
| CLogS | -6.045 |
| H Acceptors | 4 |
| H Donors | 2 |
| TotalSurfaceArea | 268.1 |
| Relative PSA | 0.17706 |
| PolarSurfaceArea | 53.49 |
| Druglikeness | 3.2401 |
| Mutagenic | high |
| Tumorigenic | low |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde; polyhalo aromatic ring |
| Shape Index | 0.68182 |
| 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 |
Click to Load Molecule:
1 - N-[(Z)-benzylideneamino]-2-(2,4,5-tribromoanilino)acetamide | 2 - N-[(Z)-benzylideneamino]-2-(2,4,5-tribromoanilino)acetamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off