(5E)-5-[(3-fluorophenyl)methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
Formula:C11H6N3OFS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(5E)-5-[(3-fluorophenyl)methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one is a drug-like molecule.
| MolName | (5E)-5-[(3-fluorophenyl)methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one |
| MolecularFormula | C11H6N3OFS |
| Smiles | O=C1n2ncnc2S/C1=C/c1cc(F)ccc1 |
| InChI | InChI=1S/C11H6FN3OS/c12-8-3-1-2-7(4-8)5-9-10(16)15-11(17-9)13-6-14-15/h1-6H |
| InChIK | TWRNQIDEZMQWHZ-UHFFFAOYSA-N |
| TotalMolweight | 247.253 |
| Molweight | 247.253 |
| MonoisotopicMass | 247.02156 |
| CLogP | 1.8132 |
| CLogS | -3.719 |
| H Acceptors | 4 |
| TotalSurfaceArea | 172.54 |
| Relative PSA | 0.34392 |
| PolarSurfaceArea | 73.08 |
| Druglikeness | 3.4228 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.58824 |
| Fragments | 1 |
| Non HAtoms | 17 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 1 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 1 |
| Aromatic Nitrogens | 3 |
| StereoCon |
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1 - (5E)-5-[(3-fluorophenyl)methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one | 2 - (5E)-5-[(3-fluorophenyl)methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
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