[4-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]phenyl] furan-2-carboxylate
Formula:C15H9NO5S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[4-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]phenyl] furan-2-carboxylate is a drug-like molecule.
| MolName | [4-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]phenyl] furan-2-carboxylate |
| MolecularFormula | C15H9NO5S |
| Smiles | O=C(c1ccco1)Oc1ccc(/C=C(/C(N2)=O)\SC2=O)cc1 |
| InChI | InChI=1S/C15H9NO5S/c17-13-12(22-15(19)16-13)8-9-3-5-10(6-4-9)21-14(18)11-2-1-7-20-11/h1-8H,(H,16,17,19) |
| InChIK | JHQHHLYUGLVUFN-UHFFFAOYSA-N |
| TotalMolweight | 315.304 |
| Molweight | 315.304 |
| MonoisotopicMass | 315.020144 |
| CLogP | 2.1086 |
| CLogS | -4.301 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 226.12 |
| Relative PSA | 0.40766 |
| PolarSurfaceArea | 110.91 |
| Druglikeness | 2.7986 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | limit! methylene-thiazolidine-2,4-dione |
| Shape Index | 0.63636 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon |
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1 - [4-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]phenyl] furan-2-carboxylate | 2 - [4-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]phenyl] furan-2-carboxylate
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