2-(5-phenyltetrazol-2-yl)-N-[(Z)-(2,4,6-tribromo-3-hydroxyphenyl)methylideneamino]acetamide
Formula:C16H11N6O2Br3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
2-(5-phenyltetrazol-2-yl)-N-[(Z)-(2,4,6-tribromo-3-hydroxyphenyl)methylideneamino]acetamide is not a drug-like molecule.
| MolName | 2-(5-phenyltetrazol-2-yl)-N-[(Z)-(2,4,6-tribromo-3-hydroxyphenyl)methylideneamino]acetamide |
| MolecularFormula | C16H11N6O2Br3 |
| Smiles | Oc(c(Br)cc(Br)c1/C=N\NC(Cn2nnc(-c3ccccc3)n2)=O)c1Br |
| InChI | InChI=1S/C16H11Br3N6O2/c17-11-6-12(18)15(27)14(19)10(11)7-20-21-13(26)8-25-23-16(22-24-25)9-4-2-1-3-5-9/h1-7,27H,8H2,(H,21,26) |
| InChIK | VNHLXWUVWJQXJQ-UHFFFAOYSA-N |
| TotalMolweight | 559.015 |
| Molweight | 559.015 |
| MonoisotopicMass | 555.849357 |
| CLogP | 4.3428 |
| CLogS | -5.995 |
| H Acceptors | 8 |
| H Donors | 2 |
| TotalSurfaceArea | 308.23 |
| Relative PSA | 0.28839 |
| PolarSurfaceArea | 105.29 |
| Druglikeness | -0.78257 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde; polyhalo aromatic ring |
| Shape Index | 0.62963 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 11 |
| Electronegative Atoms | 11 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 4 |
| StereoCon |
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1 - 2-(5-phenyltetrazol-2-yl)-N-[(Z)-(2,4,6-tribromo-3-hydroxyphenyl)methylideneamino]acetamide | 2 - 2-(5-phenyltetrazol-2-yl)-N-[(Z)-(2,4,6-tribromo-3-hydroxyphenyl)methylideneamino]acetamide
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