| MolName | (5Z)-3-(4-amino-1,2,5-oxadiazol-3-yl)-5-[[5-(3-fluorophenyl)furan-2-yl]methylidene]-2-imino-1,3-thiazolidin-4-one |
| MolecularFormula | C16H10N5O3FS |
| Smiles | Nc1nonc1N(C(/C(/S1)=C/c2ccc(-c3cc(F)ccc3)o2)=O)C1=N |
| InChI | InChI=1S/C16H10FN5O3S/c17-9-3-1-2-8(6-9)11-5-4-10(24-11)7-12-15(23)22(16(19)26-12)14-13(18)20-25-21-14/h1-7,19H,(H2,18,20)/b12-7-,19-16? |
| InChIK | IWRUGGAUVVQVCL-HCYZPJOLSA-N |
| TotalMolweight | 371.351 |
| Molweight | 371.351 |
| MonoisotopicMass | 371.048838 |
| CLogP | 2.415 |
| CLogS | -4.955 |
| H Acceptors | 8 |
| H Donors | 2 |
| TotalSurfaceArea | 261.61 |
| Relative PSA | 0.44001 |
| PolarSurfaceArea | 147.54 |
| Druglikeness | 3.9516 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.53846 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 3 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 1 |
| Amides | 1 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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1 - (5Z)-3-(4-amino-1,2,5-oxadiazol-3-yl)-5-[[5-(3-fluorophenyl)furan-2-yl]methylidene]-2-imino-1,3-thiazolidin-4-one | 2 - (5Z)-3-(4-amino-1,2,5-oxadiazol-3-yl)-5-[[5-(3-fluorophenyl)furan-2-yl]methylidene]-2-imino-1,3-thiazolidin-4-one