(5E)-5-[(4-hydroxy-3-iodophenyl)methylidene]-2-phenylimino-3-(pyridin-3-ylmethyl)-1,3-thiazolidin-4-one
Formula:C22H16N3O2IS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(5E)-5-[(4-hydroxy-3-iodophenyl)methylidene]-2-phenylimino-3-(pyridin-3-ylmethyl)-1,3-thiazolidin-4-one is not a drug-like molecule.
| MolName | (5E)-5-[(4-hydroxy-3-iodophenyl)methylidene]-2-phenylimino-3-(pyridin-3-ylmethyl)-1,3-thiazolidin-4-one |
| MolecularFormula | C22H16N3O2IS |
| Smiles | Oc(ccc(/C=C(\C(N1Cc2cnccc2)=O)/S/C1=N\c1ccccc1)c1)c1I |
| InChI | InChI=1S/C22H16IN3O2S/c23-18-11-15(8-9-19(18)27)12-20-21(28)26(14-16-5-4-10-24-13-16)22(29-20)25-17-6-2-1-3-7-17/h1-13,27H,14H2 |
| InChIK | HGFSKTLOERTXAB-UHFFFAOYSA-N |
| TotalMolweight | 513.354 |
| Molweight | 513.354 |
| MonoisotopicMass | 513.000795 |
| CLogP | 3.6914 |
| CLogS | -5.253 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 317.65 |
| Relative PSA | 0.2193 |
| PolarSurfaceArea | 91.09 |
| Druglikeness | 4.9517 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.48276 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 3 |
| Symmetricatoms | 2 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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1 - (5E)-5-[(4-hydroxy-3-iodophenyl)methylidene]-2-phenylimino-3-(pyridin-3-ylmethyl)-1,3-thiazolidin-4-one | 2 - (5E)-5-[(4-hydroxy-3-iodophenyl)methylidene]-2-phenylimino-3-(pyridin-3-ylmethyl)-1,3-thiazolidin-4-one
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