(5Z)-3-(4-hydroxyphenyl)-5-(pyridin-3-ylmethylidene)-1,3-thiazolidine-2,4-dione
Formula:C15H10N2O3S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(5Z)-3-(4-hydroxyphenyl)-5-(pyridin-3-ylmethylidene)-1,3-thiazolidine-2,4-dione is a drug-like molecule.
| MolName | (5Z)-3-(4-hydroxyphenyl)-5-(pyridin-3-ylmethylidene)-1,3-thiazolidine-2,4-dione |
| MolecularFormula | C15H10N2O3S |
| Smiles | Oc(cc1)ccc1N(C(/C(/S1)=C/c2cnccc2)=O)C1=O |
| InChI | InChI=1S/C15H10N2O3S/c18-12-5-3-11(4-6-12)17-14(19)13(21-15(17)20)8-10-2-1-7-16-9-10/h1-9,18H |
| InChIK | KZZHNZJVIBASBA-UHFFFAOYSA-N |
| TotalMolweight | 298.321 |
| Molweight | 298.321 |
| MonoisotopicMass | 298.041213 |
| CLogP | 1.8909 |
| CLogS | -3.541 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 212.63 |
| Relative PSA | 0.33481 |
| PolarSurfaceArea | 95.8 |
| Druglikeness | 3.2336 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | limit! methylene-thiazolidine-2,4-dione |
| Shape Index | 0.61905 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 2 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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1 - (5Z)-3-(4-hydroxyphenyl)-5-(pyridin-3-ylmethylidene)-1,3-thiazolidine-2,4-dione | 2 - (5Z)-3-(4-hydroxyphenyl)-5-(pyridin-3-ylmethylidene)-1,3-thiazolidine-2,4-dione
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