3-[(5Z)-5-[(2-fluorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]propanoic acid
Formula:C13H10NO4FS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:low
3-[(5Z)-5-[(2-fluorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]propanoic acid is a drug-like molecule.
| MolName | 3-[(5Z)-5-[(2-fluorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]propanoic acid |
| MolecularFormula | C13H10NO4FS |
| Smiles | OC(CCN(C(/C(/S1)=C/c(cccc2)c2F)=O)C1=O)=O |
| InChI | InChI=1S/C13H10FNO4S/c14-9-4-2-1-3-8(9)7-10-12(18)15(13(19)20-10)6-5-11(16)17/h1-4,7H,5-6H2,(H,16,17) |
| InChIK | VVAOWXLBXZEUFE-UHFFFAOYSA-N |
| TotalMolweight | 295.289 |
| Molweight | 295.289 |
| MonoisotopicMass | 295.031457 |
| CLogP | 1.4275 |
| CLogS | -3.146 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 205.73 |
| Relative PSA | 0.3561 |
| PolarSurfaceArea | 99.98 |
| Druglikeness | 3.108 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | limit! methylene-thiazolidine-2,4-dione |
| Shape Index | 0.6 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 4 |
| Amides | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - 3-[(5Z)-5-[(2-fluorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]propanoic acid | 2 - 3-[(5Z)-5-[(2-fluorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]propanoic acid
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