(3Z)-6-fluoro-3-(thiophen-2-ylmethylidene)thiochromen-4-one
Formula:C14H9OFS2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(3Z)-6-fluoro-3-(thiophen-2-ylmethylidene)thiochromen-4-one is a drug-like molecule.
| MolName | (3Z)-6-fluoro-3-(thiophen-2-ylmethylidene)thiochromen-4-one |
| MolecularFormula | C14H9OFS2 |
| Smiles | O=C1c(cc(cc2)F)c2SC/C1=C\c1cccs1 |
| InChI | InChI=1S/C14H9FOS2/c15-10-3-4-13-12(7-10)14(16)9(8-18-13)6-11-2-1-5-17-11/h1-7H,8H2 |
| InChIK | JRHZEHUAEQGVIL-UHFFFAOYSA-N |
| TotalMolweight | 276.354 |
| Molweight | 276.354 |
| MonoisotopicMass | 276.007883 |
| CLogP | 3.0129 |
| CLogS | -4.914 |
| H Acceptors | 1 |
| TotalSurfaceArea | 195.52 |
| Relative PSA | 0.26028 |
| PolarSurfaceArea | 70.61 |
| Druglikeness | 1.161 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.55556 |
| Fragments | 1 |
| Non HAtoms | 18 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 1 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 2 |
| StereoCon |
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