(2E)-2-(2H-thiophen-5-ylidene)-3,4-dihydronaphthalen-1-one
Formula:C14H12OS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
(2E)-2-(2H-thiophen-5-ylidene)-3,4-dihydronaphthalen-1-one is a drug-like molecule.
| MolName | (2E)-2-(2H-thiophen-5-ylidene)-3,4-dihydronaphthalen-1-one |
| MolecularFormula | C14H12OS |
| Smiles | O=C(/C(/CC1)=C2/SCC=C2)c2c1cccc2 |
| InChI | InChI=1S/C14H12OS/c15-14-11-5-2-1-4-10(11)7-8-12(14)13-6-3-9-16-13/h1-6H,7-9H2 |
| InChIK | OWHYNYWCZJGRSQ-UHFFFAOYSA-N |
| TotalMolweight | 228.314 |
| Molweight | 228.314 |
| MonoisotopicMass | 228.060885 |
| CLogP | 2.9371 |
| CLogS | -3.81 |
| H Acceptors | 1 |
| TotalSurfaceArea | 172.2 |
| Relative PSA | 0.17729 |
| PolarSurfaceArea | 42.37 |
| Druglikeness | 0.95058 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.5625 |
| Fragments | 1 |
| Non HAtoms | 16 |
| NonCHAtoms | 2 |
| Electronegative Atoms | 2 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 4 |
| StereoCon |
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