(2R)-2-(4-bromophenyl)-N-[(Z)-(3-bromophenyl)methylideneamino]-2-hydroxyacetamide
Formula:C15H12N2O2Br2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:low
(2R)-2-(4-bromophenyl)-N-[(Z)-(3-bromophenyl)methylideneamino]-2-hydroxyacetamide is a drug-like molecule.
| MolName | (2R)-2-(4-bromophenyl)-N-[(Z)-(3-bromophenyl)methylideneamino]-2-hydroxyacetamide |
| MolecularFormula | C15H12N2O2Br2 |
| Smiles | O[C@@H](C(N/N=C\c1cccc(Br)c1)=O)c(cc1)ccc1Br |
| InChI | InChI=1S/C15H12Br2N2O2/c16-12-6-4-11(5-7-12)14(20)15(21)19-18-9-10-2-1-3-13(17)8-10/h1-9,14,20H,(H,19,21)/t14-/m1/s1 |
| InChIK | VWHHFSKZODDVTK-CQSZACIVSA-N |
| TotalMolweight | 412.08 |
| Molweight | 412.08 |
| MonoisotopicMass | 409.92655 |
| CLogP | 3.58 |
| CLogS | -4.806 |
| H Acceptors | 4 |
| H Donors | 2 |
| TotalSurfaceArea | 243.1 |
| Relative PSA | 0.20202 |
| PolarSurfaceArea | 61.69 |
| Druglikeness | 3.3543 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | high |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| StereoCenters | 1 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| StereoCon | this enantiomer |
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1 - (2R)-2-(4-bromophenyl)-N-[(Z)-(3-bromophenyl)methylideneamino]-2-hydroxyacetamide | 2 - (2R)-2-(4-bromophenyl)-N-[(Z)-(3-bromophenyl)methylideneamino]-2-hydroxyacetamide
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