4-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]benzaldehyde
Formula:C11H7NO3S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
4-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]benzaldehyde is a drug-like molecule.
| MolName | 4-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]benzaldehyde |
| MolecularFormula | C11H7NO3S |
| Smiles | O=Cc1ccc(/C=C(/C(N2)=O)\SC2=O)cc1 |
| InChI | InChI=1S/C11H7NO3S/c13-6-8-3-1-7(2-4-8)5-9-10(14)12-11(15)16-9/h1-6H,(H,12,14,15) |
| InChIK | MYGMULWOOZQJAD-UHFFFAOYSA-N |
| TotalMolweight | 233.247 |
| Molweight | 233.247 |
| MonoisotopicMass | 233.014664 |
| CLogP | 1.4227 |
| CLogS | -3.473 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 168.46 |
| Relative PSA | 0.40407 |
| PolarSurfaceArea | 88.54 |
| Druglikeness | 0.86006 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | limit! methylene-thiazolidine-2,4-dione |
| Shape Index | 0.6875 |
| Fragments | 1 |
| Non HAtoms | 16 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 2 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon |
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1 - 4-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]benzaldehyde | 2 - 4-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]benzaldehyde
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