N-[(Z)-(2,4-dibromo-5-hydroxyphenyl)methylideneamino]-2-phenylacetamide
Formula:C15H12N2O2Br2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
N-[(Z)-(2,4-dibromo-5-hydroxyphenyl)methylideneamino]-2-phenylacetamide is a drug-like molecule.
| MolName | N-[(Z)-(2,4-dibromo-5-hydroxyphenyl)methylideneamino]-2-phenylacetamide |
| MolecularFormula | C15H12N2O2Br2 |
| Smiles | Oc(cc(/C=N\NC(Cc1ccccc1)=O)c(Br)c1)c1Br |
| InChI | InChI=1S/C15H12Br2N2O2/c16-12-8-13(17)14(20)7-11(12)9-18-19-15(21)6-10-4-2-1-3-5-10/h1-5,7-9,20H,6H2,(H,19,21) |
| InChIK | DAADXUDMLZSVJW-UHFFFAOYSA-N |
| TotalMolweight | 412.08 |
| Molweight | 412.08 |
| MonoisotopicMass | 409.92655 |
| CLogP | 4.3044 |
| CLogS | -5.058 |
| H Acceptors | 4 |
| H Donors | 2 |
| TotalSurfaceArea | 244.36 |
| Relative PSA | 0.20097 |
| PolarSurfaceArea | 61.69 |
| Druglikeness | 2.5525 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| StereoCon |
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1 - N-[(Z)-(2,4-dibromo-5-hydroxyphenyl)methylideneamino]-2-phenylacetamide | 2 - N-[(Z)-(2,4-dibromo-5-hydroxyphenyl)methylideneamino]-2-phenylacetamide
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