(5E)-5-[(5-bromo-2-fluorophenyl)methylidene]-3-(4-nitrophenyl)-2-sulfanylidene-1,3-thiazolidin-4-one
Formula:C16H8N2O3BrFS2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(5E)-5-[(5-bromo-2-fluorophenyl)methylidene]-3-(4-nitrophenyl)-2-sulfanylidene-1,3-thiazolidin-4-one is a drug-like molecule.
| MolName | (5E)-5-[(5-bromo-2-fluorophenyl)methylidene]-3-(4-nitrophenyl)-2-sulfanylidene-1,3-thiazolidin-4-one |
| MolecularFormula | C16H8N2O3BrFS2 |
| Smiles | [O-][N+](c(cc1)ccc1N(C(/C(/S1)=C\c(cc(cc2)Br)c2F)=O)C1=S)=O |
| InChI | InChI=1S/C16H8BrFN2O3S2/c17-10-1-6-13(18)9(7-10)8-14-15(21)19(16(24)25-14)11-2-4-12(5-3-11)20(22)23/h1-8H |
| InChIK | LBWYLCGRROVMTH-UHFFFAOYSA-N |
| TotalMolweight | 439.285 |
| Molweight | 439.285 |
| MonoisotopicMass | 437.914372 |
| CLogP | 2.7967 |
| CLogS | -6.591 |
| H Acceptors | 5 |
| TotalSurfaceArea | 271.13 |
| Relative PSA | 0.34116 |
| PolarSurfaceArea | 123.52 |
| Druglikeness | -5.4183 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.56 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 3 |
| Symmetricatoms | 2 |
| Amides | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - (5E)-5-[(5-bromo-2-fluorophenyl)methylidene]-3-(4-nitrophenyl)-2-sulfanylidene-1,3-thiazolidin-4-one | 2 - (5E)-5-[(5-bromo-2-fluorophenyl)methylidene]-3-(4-nitrophenyl)-2-sulfanylidene-1,3-thiazolidin-4-one
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