(5E)-5-[(Z)-2-bromo-3-phenylprop-2-enylidene]-3-phenyl-2-sulfanylidene-1,3-thiazolidin-4-one
Formula:C18H12NOBrS2
Mutagenic:high
Tumorigenic:low
Reproductive Effective:none
(5E)-5-[(Z)-2-bromo-3-phenylprop-2-enylidene]-3-phenyl-2-sulfanylidene-1,3-thiazolidin-4-one is a drug-like molecule.
| MolName | (5E)-5-[(Z)-2-bromo-3-phenylprop-2-enylidene]-3-phenyl-2-sulfanylidene-1,3-thiazolidin-4-one |
| MolecularFormula | C18H12NOBrS2 |
| Smiles | O=C(/C(/SC1=S)=C\C(\Br)=C\c2ccccc2)N1c1ccccc1 |
| InChI | InChI=1S/C18H12BrNOS2/c19-14(11-13-7-3-1-4-8-13)12-16-17(21)20(18(22)23-16)15-9-5-2-6-10-15/h1-12H |
| InChIK | MITHORDOJMFMMW-UHFFFAOYSA-N |
| TotalMolweight | 402.335 |
| Molweight | 402.335 |
| MonoisotopicMass | 400.954365 |
| CLogP | 4.1415 |
| CLogS | -6.128 |
| H Acceptors | 2 |
| TotalSurfaceArea | 265.82 |
| Relative PSA | 0.23354 |
| PolarSurfaceArea | 77.7 |
| Druglikeness | -2.603 |
| Mutagenic | high |
| Tumorigenic | low |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.6087 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 2 |
| Symmetricatoms | 4 |
| Amides | 1 |
| StereoCon |
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