(5Z)-5-benzylidene-3-[3-(4-chlorophenoxy)-2-hydroxypropyl]-1,3-thiazolidine-2,4-dione
Formula:C19H16NO4ClS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
(5Z)-5-benzylidene-3-[3-(4-chlorophenoxy)-2-hydroxypropyl]-1,3-thiazolidine-2,4-dione is a drug-like molecule.
| MolName | (5Z)-5-benzylidene-3-[3-(4-chlorophenoxy)-2-hydroxypropyl]-1,3-thiazolidine-2,4-dione |
| MolecularFormula | C19H16NO4ClS |
| Smiles | OC(CN(C(/C(/S1)=C/c2ccccc2)=O)C1=O)COc(cc1)ccc1Cl |
| InChI | InChI=1S/C19H16ClNO4S/c20-14-6-8-16(9-7-14)25-12-15(22)11-21-18(23)17(26-19(21)24)10-13-4-2-1-3-5-13/h1-10,15,22H,11-12H2/t15-/m0/s1 |
| InChIK | BMEAIJGAIMHBOX-HNNXBMFYSA-N |
| TotalMolweight | 389.858 |
| Molweight | 389.858 |
| MonoisotopicMass | 389.048856 |
| CLogP | 3.2059 |
| CLogS | -4.644 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 279.31 |
| Relative PSA | 0.25141 |
| PolarSurfaceArea | 92.14 |
| Druglikeness | 6.0875 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | limit! methylene-thiazolidine-2,4-dione |
| Shape Index | 0.65385 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| StereoCenters | 1 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 6 |
| Symmetricatoms | 4 |
| Amides | 1 |
| StereoCon | racemate |
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1 - (5Z)-5-benzylidene-3-[3-(4-chlorophenoxy)-2-hydroxypropyl]-1,3-thiazolidine-2,4-dione | 2 - (5Z)-5-benzylidene-3-[3-(4-chlorophenoxy)-2-hydroxypropyl]-1,3-thiazolidine-2,4-dione
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