(5E)-5-[(2-hydroxyphenyl)methylidene]-3-phenyl-1,3-thiazolidine-2,4-dione
Formula:C16H11NO3S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(5E)-5-[(2-hydroxyphenyl)methylidene]-3-phenyl-1,3-thiazolidine-2,4-dione is a drug-like molecule.
| MolName | (5E)-5-[(2-hydroxyphenyl)methylidene]-3-phenyl-1,3-thiazolidine-2,4-dione |
| MolecularFormula | C16H11NO3S |
| Smiles | Oc1c(/C=C(\C(N2c3ccccc3)=O)/SC2=O)cccc1 |
| InChI | InChI=1S/C16H11NO3S/c18-13-9-5-4-6-11(13)10-14-15(19)17(16(20)21-14)12-7-2-1-3-8-12/h1-10,18H |
| InChIK | SADWUPZOBYHAAM-UHFFFAOYSA-N |
| TotalMolweight | 297.333 |
| Molweight | 297.333 |
| MonoisotopicMass | 297.045964 |
| CLogP | 2.8918 |
| CLogS | -4.336 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 213.87 |
| Relative PSA | 0.28157 |
| PolarSurfaceArea | 82.91 |
| Druglikeness | 3.2336 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | limit! methylene-thiazolidine-2,4-dione |
| Shape Index | 0.57143 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 2 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon |
Click to Load Molecule:
1 - (5E)-5-[(2-hydroxyphenyl)methylidene]-3-phenyl-1,3-thiazolidine-2,4-dione | 2 - (5E)-5-[(2-hydroxyphenyl)methylidene]-3-phenyl-1,3-thiazolidine-2,4-dione
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off