| MolName | (5Z)-2-amino-5-[[5-(4-fluorophenyl)furan-2-yl]methylidene]-1,3-thiazol-4-one |
| MolecularFormula | C14H9N2O2FS |
| Smiles | NC(S/C1=C\c2ccc(-c(cc3)ccc3F)o2)=NC1=O |
| InChI | InChI=1S/C14H9FN2O2S/c15-9-3-1-8(2-4-9)11-6-5-10(19-11)7-12-13(18)17-14(16)20-12/h1-7H,(H2,16,17,18) |
| InChIK | XXYMSJKQZPMUFX-UHFFFAOYSA-N |
| TotalMolweight | 288.301 |
| Molweight | 288.301 |
| MonoisotopicMass | 288.036876 |
| CLogP | 2.0377 |
| CLogS | -5.063 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 207 |
| Relative PSA | 0.34502 |
| PolarSurfaceArea | 93.89 |
| Druglikeness | 1.92 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.65 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 2 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| BasicNitrogens | 1 |
| StereoCon |
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1 - (5Z)-2-amino-5-[[5-(4-fluorophenyl)furan-2-yl]methylidene]-1,3-thiazol-4-one | 2 - (5Z)-2-amino-5-[[5-(4-fluorophenyl)furan-2-yl]methylidene]-1,3-thiazol-4-one