(5Z)-5-(anthracen-9-ylmethylidene)-1,3-thiazolidine-2,4-dione
Formula:C18H11NO2S
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
(5Z)-5-(anthracen-9-ylmethylidene)-1,3-thiazolidine-2,4-dione is a drug-like molecule.
| MolName | (5Z)-5-(anthracen-9-ylmethylidene)-1,3-thiazolidine-2,4-dione |
| MolecularFormula | C18H11NO2S |
| Smiles | O=C(/C(/S1)=C/c2c(cccc3)c3cc3ccccc23)NC1=O |
| InChI | InChI=1S/C18H11NO2S/c20-17-16(22-18(21)19-17)10-15-13-7-3-1-5-11(13)9-12-6-2-4-8-14(12)15/h1-10H,(H,19,20,21) |
| InChIK | MUPCQOPJEWLLSO-UHFFFAOYSA-N |
| TotalMolweight | 305.356 |
| Molweight | 305.356 |
| MonoisotopicMass | 305.051049 |
| CLogP | 3.8782 |
| CLogS | -6.361 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 218.12 |
| Relative PSA | 0.25229 |
| PolarSurfaceArea | 71.47 |
| Druglikeness | 3.0101 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | limit! methylene-thiazolidine-2,4-dione |
| Shape Index | 0.45455 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 1 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 14 |
| Sp3Atoms | 1 |
| Symmetricatoms | 6 |
| Amides | 1 |
| StereoCon |
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