(5E)-5-[(7-bromo-1,3-benzodioxol-5-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
Formula:C11H6NO3BrS2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(5E)-5-[(7-bromo-1,3-benzodioxol-5-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one is a drug-like molecule.
| MolName | (5E)-5-[(7-bromo-1,3-benzodioxol-5-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one |
| MolecularFormula | C11H6NO3BrS2 |
| Smiles | O=C(/C(/S1)=C\c2cc(Br)c3OCOc3c2)NC1=S |
| InChI | InChI=1S/C11H6BrNO3S2/c12-6-1-5(2-7-9(6)16-4-15-7)3-8-10(14)13-11(17)18-8/h1-3H,4H2,(H,13,14,17) |
| InChIK | FVWNUFLULHXTST-UHFFFAOYSA-N |
| TotalMolweight | 344.209 |
| Molweight | 344.209 |
| MonoisotopicMass | 342.897245 |
| CLogP | 1.9808 |
| CLogS | -5.045 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 202.77 |
| Relative PSA | 0.4438 |
| PolarSurfaceArea | 104.95 |
| Druglikeness | 0.52891 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.55556 |
| Fragments | 1 |
| Non HAtoms | 18 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 1 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 5 |
| Amides | 1 |
| StereoCon |
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1 - (5E)-5-[(7-bromo-1,3-benzodioxol-5-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one | 2 - (5E)-5-[(7-bromo-1,3-benzodioxol-5-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
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