(2E)-2-[[3-(naphthalen-1-ylmethoxy)phenyl]methylidene]-1-benzothiophen-3-one
Formula:C26H18O2S
Mutagenic:low
Tumorigenic:high
Reproductive Effective:none
(2E)-2-[[3-(naphthalen-1-ylmethoxy)phenyl]methylidene]-1-benzothiophen-3-one is not a drug-like molecule.
| MolName | (2E)-2-[[3-(naphthalen-1-ylmethoxy)phenyl]methylidene]-1-benzothiophen-3-one |
| MolecularFormula | C26H18O2S |
| Smiles | O=C1c(cccc2)c2S/C1=C/c1cc(OCc2cccc3ccccc23)ccc1 |
| InChI | InChI=1S/C26H18O2S/c27-26-23-13-3-4-14-24(23)29-25(26)16-18-7-5-11-21(15-18)28-17-20-10-6-9-19-8-1-2-12-22(19)20/h1-16H,17H2 |
| InChIK | WMVIEVHEHJFRTE-UHFFFAOYSA-N |
| TotalMolweight | 394.493 |
| Molweight | 394.493 |
| MonoisotopicMass | 394.10275 |
| CLogP | 5.6122 |
| CLogS | -7.703 |
| H Acceptors | 2 |
| TotalSurfaceArea | 297.59 |
| Relative PSA | 0.13619 |
| PolarSurfaceArea | 51.6 |
| Druglikeness | 1.1712 |
| Mutagenic | low |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.55172 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 3 |
| Rotatable Bond | 4 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 22 |
| Sp3Atoms | 3 |
| StereoCon |
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