(5R)-5-bromo-3-(3-methylphenyl)-1,3-thiazolidine-2,4-dione
Formula:C10H8NO2BrS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(5R)-5-bromo-3-(3-methylphenyl)-1,3-thiazolidine-2,4-dione is a drug-like molecule.
| MolName | (5R)-5-bromo-3-(3-methylphenyl)-1,3-thiazolidine-2,4-dione |
| MolecularFormula | C10H8NO2BrS |
| Smiles | Cc1cccc(N(C([C@H](S2)Br)=O)C2=O)c1 |
| InChI | InChI=1S/C10H8BrNO2S/c1-6-3-2-4-7(5-6)12-9(13)8(11)15-10(12)14/h2-5,8H,1H3/t8-/m0/s1 |
| InChIK | KJFRLAXQKZQWML-QMMMGPOBSA-N |
| TotalMolweight | 286.149 |
| Molweight | 286.149 |
| MonoisotopicMass | 284.94591 |
| CLogP | 2.2955 |
| CLogS | -3.585 |
| H Acceptors | 3 |
| TotalSurfaceArea | 166.44 |
| Relative PSA | 0.28311 |
| PolarSurfaceArea | 62.68 |
| Druglikeness | -3.7436 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | sec./tert. alkyl-bromide/iodide |
| Shape Index | 0.53333 |
| Fragments | 1 |
| Non HAtoms | 15 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| StereoCenters | 1 |
| Rotatable Bond | 1 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 3 |
| Amides | 1 |
| StereoCon | this enantiomer |
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1 - (5R)-5-bromo-3-(3-methylphenyl)-1,3-thiazolidine-2,4-dione | 2 - (5R)-5-bromo-3-(3-methylphenyl)-1,3-thiazolidine-2,4-dione
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