(5E)-5-[(5-bromo-2-hydroxyphenyl)methylidene]-3-phenyl-2-sulfanylidene-1,3-thiazolidin-4-one
Formula:C16H10NO2BrS2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(5E)-5-[(5-bromo-2-hydroxyphenyl)methylidene]-3-phenyl-2-sulfanylidene-1,3-thiazolidin-4-one is a drug-like molecule.
| MolName | (5E)-5-[(5-bromo-2-hydroxyphenyl)methylidene]-3-phenyl-2-sulfanylidene-1,3-thiazolidin-4-one |
| MolecularFormula | C16H10NO2BrS2 |
| Smiles | Oc(cc1)c(/C=C(\C(N2c3ccccc3)=O)/SC2=S)cc1Br |
| InChI | InChI=1S/C16H10BrNO2S2/c17-11-6-7-13(19)10(8-11)9-14-15(20)18(16(21)22-14)12-4-2-1-3-5-12/h1-9,19H |
| InChIK | PUYRVUPSCDIUAE-UHFFFAOYSA-N |
| TotalMolweight | 392.296 |
| Molweight | 392.296 |
| MonoisotopicMass | 390.93363 |
| CLogP | 3.2718 |
| CLogS | -5.521 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 247.46 |
| Relative PSA | 0.30381 |
| PolarSurfaceArea | 97.93 |
| Druglikeness | 0.995 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.54545 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 2 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 3 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon |
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1 - (5E)-5-[(5-bromo-2-hydroxyphenyl)methylidene]-3-phenyl-2-sulfanylidene-1,3-thiazolidin-4-one | 2 - (5E)-5-[(5-bromo-2-hydroxyphenyl)methylidene]-3-phenyl-2-sulfanylidene-1,3-thiazolidin-4-one
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