N-[(Z)-(3-nitrophenyl)methylideneamino]-2-(2,4,6-tribromoanilino)acetamide
Formula:C15H11N4O3Br3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(3-nitrophenyl)methylideneamino]-2-(2,4,6-tribromoanilino)acetamide is not a drug-like molecule.
| MolName | N-[(Z)-(3-nitrophenyl)methylideneamino]-2-(2,4,6-tribromoanilino)acetamide |
| MolecularFormula | C15H11N4O3Br3 |
| Smiles | [O-][N+](c1cccc(/C=N\NC(CNc(c(Br)cc(Br)c2)c2Br)=O)c1)=O |
| InChI | InChI=1S/C15H11Br3N4O3/c16-10-5-12(17)15(13(18)6-10)19-8-14(23)21-20-7-9-2-1-3-11(4-9)22(24)25/h1-7,19H,8H2,(H,21,23) |
| InChIK | ADXDVCXHPPRYPZ-UHFFFAOYSA-N |
| TotalMolweight | 534.989 |
| Molweight | 534.989 |
| MonoisotopicMass | 531.838124 |
| CLogP | 3.7475 |
| CLogS | -6.505 |
| H Acceptors | 7 |
| H Donors | 2 |
| TotalSurfaceArea | 291.77 |
| Relative PSA | 0.26696 |
| PolarSurfaceArea | 99.31 |
| Druglikeness | -1.9192 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde; polyhalo aromatic ring |
| Shape Index | 0.64 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 6 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 3 |
| Symmetricatoms | 3 |
| Amines | 1 |
| Aromatic Amines | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - N-[(Z)-(3-nitrophenyl)methylideneamino]-2-(2,4,6-tribromoanilino)acetamide | 2 - N-[(Z)-(3-nitrophenyl)methylideneamino]-2-(2,4,6-tribromoanilino)acetamide
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