(5E)-3-benzyl-5-[(3-hydroxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
Formula:C17H13NO2S2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(5E)-3-benzyl-5-[(3-hydroxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one is a drug-like molecule.
| MolName | (5E)-3-benzyl-5-[(3-hydroxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one |
| MolecularFormula | C17H13NO2S2 |
| Smiles | Oc1cccc(/C=C(\C(N2Cc3ccccc3)=O)/SC2=S)c1 |
| InChI | InChI=1S/C17H13NO2S2/c19-14-8-4-7-13(9-14)10-15-16(20)18(17(21)22-15)11-12-5-2-1-3-6-12/h1-10,19H,11H2 |
| InChIK | FQAVMUGOZJXNBR-UHFFFAOYSA-N |
| TotalMolweight | 327.427 |
| Molweight | 327.427 |
| MonoisotopicMass | 327.038769 |
| CLogP | 2.4695 |
| CLogS | -4.165 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 242.59 |
| Relative PSA | 0.30991 |
| PolarSurfaceArea | 97.93 |
| Druglikeness | 3.9632 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.59091 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 4 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon |
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1 - (5E)-3-benzyl-5-[(3-hydroxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one | 2 - (5E)-3-benzyl-5-[(3-hydroxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
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