N-[(Z)-(2,4-dibromo-5-hydroxyphenyl)methylideneamino]-2-(5-phenyltetrazol-2-yl)acetamide
Formula:C16H12N6O2Br2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
N-[(Z)-(2,4-dibromo-5-hydroxyphenyl)methylideneamino]-2-(5-phenyltetrazol-2-yl)acetamide is a drug-like molecule.
| MolName | N-[(Z)-(2,4-dibromo-5-hydroxyphenyl)methylideneamino]-2-(5-phenyltetrazol-2-yl)acetamide |
| MolecularFormula | C16H12N6O2Br2 |
| Smiles | Oc(cc(/C=N\NC(Cn1nnc(-c2ccccc2)n1)=O)c(Br)c1)c1Br |
| InChI | InChI=1S/C16H12Br2N6O2/c17-12-7-13(18)14(25)6-11(12)8-19-20-15(26)9-24-22-16(21-23-24)10-4-2-1-3-5-10/h1-8,25H,9H2,(H,20,26) |
| InChIK | GIRYYSYBXYUUKY-UHFFFAOYSA-N |
| TotalMolweight | 480.119 |
| Molweight | 480.119 |
| MonoisotopicMass | 477.938846 |
| CLogP | 3.6176 |
| CLogS | -5.161 |
| H Acceptors | 8 |
| H Donors | 2 |
| TotalSurfaceArea | 289.6 |
| Relative PSA | 0.30694 |
| PolarSurfaceArea | 105.29 |
| Druglikeness | -0.78257 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.65385 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| 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 - N-[(Z)-(2,4-dibromo-5-hydroxyphenyl)methylideneamino]-2-(5-phenyltetrazol-2-yl)acetamide | 2 - N-[(Z)-(2,4-dibromo-5-hydroxyphenyl)methylideneamino]-2-(5-phenyltetrazol-2-yl)acetamide
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