(2E,4Z)-2,4-bis(thiophen-2-ylmethylidene)thiolan-3-one
Formula:C14H10OS3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(2E,4Z)-2,4-bis(thiophen-2-ylmethylidene)thiolan-3-one is a drug-like molecule.
| MolName | (2E,4Z)-2,4-bis(thiophen-2-ylmethylidene)thiolan-3-one |
| MolecularFormula | C14H10OS3 |
| Smiles | O=C(/C(/CS1)=C/c2cccs2)/C1=C\c1cccs1 |
| InChI | InChI=1S/C14H10OS3/c15-14-10(7-11-3-1-5-16-11)9-18-13(14)8-12-4-2-6-17-12/h1-8H,9H2 |
| InChIK | VJPAJBJHTBITGS-UHFFFAOYSA-N |
| TotalMolweight | 290.43 |
| Molweight | 290.43 |
| MonoisotopicMass | 289.989375 |
| CLogP | 3.8383 |
| CLogS | -4.573 |
| H Acceptors | 1 |
| TotalSurfaceArea | 209.82 |
| Relative PSA | 0.33958 |
| PolarSurfaceArea | 98.85 |
| Druglikeness | 2.6742 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.61111 |
| Fragments | 1 |
| Non HAtoms | 18 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 2 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 10 |
| Sp3Atoms | 2 |
| StereoCon |
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