(2E)-2-(1-benzothiophen-3-ylmethylidene)-3,4-dihydronaphthalen-1-one
Formula:C19H14OS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
(2E)-2-(1-benzothiophen-3-ylmethylidene)-3,4-dihydronaphthalen-1-one is a drug-like molecule.
| MolName | (2E)-2-(1-benzothiophen-3-ylmethylidene)-3,4-dihydronaphthalen-1-one |
| MolecularFormula | C19H14OS |
| Smiles | O=C(/C(/CC1)=C/c2csc3c2cccc3)c2c1cccc2 |
| InChI | InChI=1S/C19H14OS/c20-19-14(10-9-13-5-1-2-7-17(13)19)11-15-12-21-18-8-4-3-6-16(15)18/h1-8,11-12H,9-10H2 |
| InChIK | SLCTXKNAGUUYNY-UHFFFAOYSA-N |
| TotalMolweight | 290.385 |
| Molweight | 290.385 |
| MonoisotopicMass | 290.076535 |
| CLogP | 4.8518 |
| CLogS | -5.522 |
| H Acceptors | 1 |
| TotalSurfaceArea | 220.04 |
| Relative PSA | 0.15179 |
| PolarSurfaceArea | 45.31 |
| Druglikeness | 0.17756 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.57143 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 2 |
| Electronegative Atoms | 2 |
| Rotatable Bond | 1 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 15 |
| Sp3Atoms | 2 |
| StereoCon |
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