N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]-2-(2,4,6-tribromoanilino)acetamide
Formula:C17H14N3OBr3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]-2-(2,4,6-tribromoanilino)acetamide is not a drug-like molecule.
| MolName | N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]-2-(2,4,6-tribromoanilino)acetamide |
| MolecularFormula | C17H14N3OBr3 |
| Smiles | O=C(CNc(c(Br)cc(Br)c1)c1Br)N/N=C\C=C\c1ccccc1 |
| InChI | InChI=1S/C17H14Br3N3O/c18-13-9-14(19)17(15(20)10-13)21-11-16(24)23-22-8-4-7-12-5-2-1-3-6-12/h1-10,21H,11H2,(H,23,24) |
| InChIK | UYPBXCHDBZLOBP-UHFFFAOYSA-N |
| TotalMolweight | 516.03 |
| Molweight | 516.03 |
| MonoisotopicMass | 512.868695 |
| CLogP | 4.6874 |
| CLogS | -6.337 |
| H Acceptors | 4 |
| H Donors | 2 |
| TotalSurfaceArea | 294.6 |
| Relative PSA | 0.16113 |
| PolarSurfaceArea | 53.49 |
| Druglikeness | 3.2568 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde; polyhalo aromatic ring |
| Shape Index | 0.70833 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 6 |
| 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 - N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]-2-(2,4,6-tribromoanilino)acetamide | 2 - N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]-2-(2,4,6-tribromoanilino)acetamide
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