phenyl 4-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]benzoate
Formula:C17H11NO4S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
phenyl 4-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]benzoate is a drug-like molecule.
| MolName | phenyl 4-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]benzoate |
| MolecularFormula | C17H11NO4S |
| Smiles | O=C(c1ccc(/C=C(/C(N2)=O)\SC2=O)cc1)Oc1ccccc1 |
| InChI | InChI=1S/C17H11NO4S/c19-15-14(23-17(21)18-15)10-11-6-8-12(9-7-11)16(20)22-13-4-2-1-3-5-13/h1-10H,(H,18,19,21) |
| InChIK | BXCABMNXWGIJDG-UHFFFAOYSA-N |
| TotalMolweight | 325.343 |
| Molweight | 325.343 |
| MonoisotopicMass | 325.040879 |
| CLogP | 2.9199 |
| CLogS | -4.619 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 236.43 |
| Relative PSA | 0.3302 |
| PolarSurfaceArea | 97.77 |
| Druglikeness | 2.9041 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | limit! methylene-thiazolidine-2,4-dione |
| Shape Index | 0.65217 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 2 |
| Symmetricatoms | 4 |
| Amides | 1 |
| StereoCon |
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1 - phenyl 4-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]benzoate | 2 - phenyl 4-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]benzoate
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