4-[(Z)-[3-[(2-chloro-4-fluorophenyl)methyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]benzonitrile
Formula:C18H10N2O2ClFS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
4-[(Z)-[3-[(2-chloro-4-fluorophenyl)methyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]benzonitrile is a drug-like molecule.
| MolName | 4-[(Z)-[3-[(2-chloro-4-fluorophenyl)methyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]benzonitrile |
| MolecularFormula | C18H10N2O2ClFS |
| Smiles | N#Cc1ccc(/C=C(/C(N2Cc(ccc(F)c3)c3Cl)=O)\SC2=O)cc1 |
| InChI | InChI=1S/C18H10ClFN2O2S/c19-15-8-14(20)6-5-13(15)10-22-17(23)16(25-18(22)24)7-11-1-3-12(9-21)4-2-11/h1-8H,10H2 |
| InChIK | GFTGSRDITAWHPY-UHFFFAOYSA-N |
| TotalMolweight | 372.806 |
| Molweight | 372.806 |
| MonoisotopicMass | 372.013553 |
| CLogP | 3.7028 |
| CLogS | -5.933 |
| H Acceptors | 4 |
| TotalSurfaceArea | 264.76 |
| Relative PSA | 0.22919 |
| PolarSurfaceArea | 86.47 |
| Druglikeness | -1.1749 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | limit! methylene-thiazolidine-2,4-dione |
| Shape Index | 0.64 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon |
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1 - 4-[(Z)-[3-[(2-chloro-4-fluorophenyl)methyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]benzonitrile | 2 - 4-[(Z)-[3-[(2-chloro-4-fluorophenyl)methyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]benzonitrile
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