(5E)-5-[(3-chlorophenyl)methylidene]thieno[2,3-b]thiopyran-4-one
Formula:C14H9OClS2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(5E)-5-[(3-chlorophenyl)methylidene]thieno[2,3-b]thiopyran-4-one is a drug-like molecule.
| MolName | (5E)-5-[(3-chlorophenyl)methylidene]thieno[2,3-b]thiopyran-4-one |
| MolecularFormula | C14H9OClS2 |
| Smiles | O=C(c(ccs1)c1SC1)/C1=C\c1cccc(Cl)c1 |
| InChI | InChI=1S/C14H9ClOS2/c15-11-3-1-2-9(7-11)6-10-8-18-14-12(13(10)16)4-5-17-14/h1-7H,8H2 |
| InChIK | FECFIVWNPOTJPZ-UHFFFAOYSA-N |
| TotalMolweight | 292.809 |
| Molweight | 292.809 |
| MonoisotopicMass | 291.978332 |
| CLogP | 3.6406 |
| CLogS | -5.243 |
| H Acceptors | 1 |
| TotalSurfaceArea | 204.59 |
| Relative PSA | 0.24874 |
| PolarSurfaceArea | 70.61 |
| Druglikeness | 1.0803 |
| 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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