2-(naphthalen-1-ylamino)-N-[(Z)-(2,4,6-tribromo-3-hydroxyphenyl)methylideneamino]acetamide
Formula:C19H14N3O2Br3
Mutagenic:high
Tumorigenic:high
Reproductive Effective:high
2-(naphthalen-1-ylamino)-N-[(Z)-(2,4,6-tribromo-3-hydroxyphenyl)methylideneamino]acetamide is not a drug-like molecule.
| MolName | 2-(naphthalen-1-ylamino)-N-[(Z)-(2,4,6-tribromo-3-hydroxyphenyl)methylideneamino]acetamide |
| MolecularFormula | C19H14N3O2Br3 |
| Smiles | Oc(c(Br)cc(Br)c1/C=N\NC(CNc2cccc3ccccc23)=O)c1Br |
| InChI | InChI=1S/C19H14Br3N3O2/c20-14-8-15(21)19(27)18(22)13(14)9-24-25-17(26)10-23-16-7-3-5-11-4-1-2-6-12(11)16/h1-9,23,27H,10H2,(H,25,26) |
| InChIK | DCFWDJZTAXYAPV-UHFFFAOYSA-N |
| TotalMolweight | 556.051 |
| Molweight | 556.051 |
| MonoisotopicMass | 552.86361 |
| CLogP | 5.5178 |
| CLogS | -7.355 |
| H Acceptors | 5 |
| H Donors | 3 |
| TotalSurfaceArea | 309.05 |
| Relative PSA | 0.19599 |
| PolarSurfaceArea | 73.72 |
| Druglikeness | 3.2095 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde; polyhalo aromatic ring |
| Shape Index | 0.59259 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 2 |
| Amines | 1 |
| Aromatic Amines | 1 |
| StereoCon |
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1 - 2-(naphthalen-1-ylamino)-N-[(Z)-(2,4,6-tribromo-3-hydroxyphenyl)methylideneamino]acetamide | 2 - 2-(naphthalen-1-ylamino)-N-[(Z)-(2,4,6-tribromo-3-hydroxyphenyl)methylideneamino]acetamide
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