(5Z)-3-[(4-chlorophenyl)methyl]-5-[(4-hydroxy-3-iodophenyl)methylidene]-1,3-thiazolidine-2,4-dione
Formula:C17H11NO3ClIS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(5Z)-3-[(4-chlorophenyl)methyl]-5-[(4-hydroxy-3-iodophenyl)methylidene]-1,3-thiazolidine-2,4-dione is a drug-like molecule.
| MolName | (5Z)-3-[(4-chlorophenyl)methyl]-5-[(4-hydroxy-3-iodophenyl)methylidene]-1,3-thiazolidine-2,4-dione |
| MolecularFormula | C17H11NO3ClIS |
| Smiles | Oc(ccc(/C=C(/C(N1Cc(cc2)ccc2Cl)=O)\SC1=O)c1)c1I |
| InChI | InChI=1S/C17H11ClINO3S/c18-12-4-1-10(2-5-12)9-20-16(22)15(24-17(20)23)8-11-3-6-14(21)13(19)7-11/h1-8,21H,9H2 |
| InChIK | GZQYULKMTGOCHY-UHFFFAOYSA-N |
| TotalMolweight | 471.697 |
| Molweight | 471.697 |
| MonoisotopicMass | 470.919289 |
| CLogP | 3.8578 |
| CLogS | -5.566 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 269.33 |
| Relative PSA | 0.22359 |
| PolarSurfaceArea | 82.91 |
| Druglikeness | 4.8806 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | limit! methylene-thiazolidine-2,4-dione |
| Shape Index | 0.625 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 3 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon |
Click to Load Molecule:
1 - (5Z)-3-[(4-chlorophenyl)methyl]-5-[(4-hydroxy-3-iodophenyl)methylidene]-1,3-thiazolidine-2,4-dione | 2 - (5Z)-3-[(4-chlorophenyl)methyl]-5-[(4-hydroxy-3-iodophenyl)methylidene]-1,3-thiazolidine-2,4-dione
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off