4-[(Z)-[3-(4-chlorophenyl)-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]benzonitrile
Formula:C17H9N2O2ClS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
4-[(Z)-[3-(4-chlorophenyl)-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]benzonitrile is a drug-like molecule.
| MolName | 4-[(Z)-[3-(4-chlorophenyl)-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]benzonitrile |
| MolecularFormula | C17H9N2O2ClS |
| Smiles | N#Cc1ccc(/C=C(/C(N2c(cc3)ccc3Cl)=O)\SC2=O)cc1 |
| InChI | InChI=1S/C17H9ClN2O2S/c18-13-5-7-14(8-6-13)20-16(21)15(23-17(20)22)9-11-1-3-12(10-19)4-2-11/h1-9H |
| InChIK | BADWNLCPNUUYRM-UHFFFAOYSA-N |
| TotalMolweight | 340.789 |
| Molweight | 340.789 |
| MonoisotopicMass | 340.007325 |
| CLogP | 3.6791 |
| CLogS | -6.141 |
| H Acceptors | 4 |
| TotalSurfaceArea | 244.65 |
| Relative PSA | 0.24803 |
| PolarSurfaceArea | 86.47 |
| Druglikeness | -0.9993 |
| 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 | 2 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 1 |
| Symmetricatoms | 4 |
| Amides | 1 |
| StereoCon |
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1 - 4-[(Z)-[3-(4-chlorophenyl)-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]benzonitrile | 2 - 4-[(Z)-[3-(4-chlorophenyl)-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]benzonitrile
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