(2R)-N-[(Z)-(2,4-dibromo-5-hydroxyphenyl)methylideneamino]-2-hydroxy-2-phenylacetamide
Formula:C15H12N2O3Br2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
(2R)-N-[(Z)-(2,4-dibromo-5-hydroxyphenyl)methylideneamino]-2-hydroxy-2-phenylacetamide is a drug-like molecule.
| MolName | (2R)-N-[(Z)-(2,4-dibromo-5-hydroxyphenyl)methylideneamino]-2-hydroxy-2-phenylacetamide |
| MolecularFormula | C15H12N2O3Br2 |
| Smiles | O[C@@H](C(N/N=C\c(c(Br)c1)cc(O)c1Br)=O)c1ccccc1 |
| InChI | InChI=1S/C15H12Br2N2O3/c16-11-7-12(17)13(20)6-10(11)8-18-19-15(22)14(21)9-4-2-1-3-5-9/h1-8,14,20-21H,(H,19,22)/t14-/m1/s1 |
| InChIK | SFGCHGPSWQQDRA-CQSZACIVSA-N |
| TotalMolweight | 428.079 |
| Molweight | 428.079 |
| MonoisotopicMass | 425.921465 |
| CLogP | 3.2343 |
| CLogS | -4.51 |
| H Acceptors | 5 |
| H Donors | 3 |
| TotalSurfaceArea | 249.45 |
| Relative PSA | 0.24939 |
| PolarSurfaceArea | 81.92 |
| Druglikeness | 3.3543 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | high |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.63636 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| StereoCenters | 1 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 3 |
| Symmetricatoms | 2 |
| StereoCon | this enantiomer |
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1 - (2R)-N-[(Z)-(2,4-dibromo-5-hydroxyphenyl)methylideneamino]-2-hydroxy-2-phenylacetamide | 2 - (2R)-N-[(Z)-(2,4-dibromo-5-hydroxyphenyl)methylideneamino]-2-hydroxy-2-phenylacetamide
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