2-[[2-[(Z)-[3-(4-chlorophenyl)-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]phenoxy]methyl]benzonitrile
Formula:C24H15N2O3ClS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[[2-[(Z)-[3-(4-chlorophenyl)-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]phenoxy]methyl]benzonitrile is not a drug-like molecule.
| MolName | 2-[[2-[(Z)-[3-(4-chlorophenyl)-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]phenoxy]methyl]benzonitrile |
| MolecularFormula | C24H15N2O3ClS |
| Smiles | N#Cc1c(COc2c(/C=C(/C(N3c(cc4)ccc4Cl)=O)\SC3=O)cccc2)cccc1 |
| InChI | InChI=1S/C24H15ClN2O3S/c25-19-9-11-20(12-10-19)27-23(28)22(31-24(27)29)13-16-5-3-4-8-21(16)30-15-18-7-2-1-6-17(18)14-26/h1-13H,15H2 |
| InChIK | STRXTFGYIJVORX-UHFFFAOYSA-N |
| TotalMolweight | 446.913 |
| Molweight | 446.913 |
| MonoisotopicMass | 446.04919 |
| CLogP | 5.0272 |
| CLogS | -7.482 |
| H Acceptors | 5 |
| TotalSurfaceArea | 328.17 |
| Relative PSA | 0.21538 |
| PolarSurfaceArea | 95.7 |
| Druglikeness | -1.2426 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | limit! methylene-thiazolidine-2,4-dione |
| Shape Index | 0.54839 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 3 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon |
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1 - 2-[[2-[(Z)-[3-(4-chlorophenyl)-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]phenoxy]methyl]benzonitrile | 2 - 2-[[2-[(Z)-[3-(4-chlorophenyl)-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]phenoxy]methyl]benzonitrile
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