2-[(5Z)-5-[(3-fluorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetic acid
Formula:C12H8NO4FS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[(5Z)-5-[(3-fluorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetic acid is a drug-like molecule.
| MolName | 2-[(5Z)-5-[(3-fluorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetic acid |
| MolecularFormula | C12H8NO4FS |
| Smiles | OC(CN(C(/C(/S1)=C/c2cc(F)ccc2)=O)C1=O)=O |
| InChI | InChI=1S/C12H8FNO4S/c13-8-3-1-2-7(4-8)5-9-11(17)14(6-10(15)16)12(18)19-9/h1-5H,6H2,(H,15,16) |
| InChIK | HNHHXKJFLIOGQC-UHFFFAOYSA-N |
| TotalMolweight | 281.263 |
| Molweight | 281.263 |
| MonoisotopicMass | 281.015807 |
| CLogP | 0.9731 |
| CLogS | -2.876 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 191.97 |
| Relative PSA | 0.38162 |
| PolarSurfaceArea | 99.98 |
| Druglikeness | -2.7105 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | limit! methylene-thiazolidine-2,4-dione |
| Shape Index | 0.57895 |
| Fragments | 1 |
| Non HAtoms | 19 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 3 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 3 |
| Amides | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - 2-[(5Z)-5-[(3-fluorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetic acid | 2 - 2-[(5Z)-5-[(3-fluorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetic acid
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