(6E)-6-(thiophen-2-ylmethylidene)-8,9-dihydro-7H-benzo[7]annulen-5-one
Formula:C16H14OS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(6E)-6-(thiophen-2-ylmethylidene)-8,9-dihydro-7H-benzo[7]annulen-5-one is a drug-like molecule.
| MolName | (6E)-6-(thiophen-2-ylmethylidene)-8,9-dihydro-7H-benzo[7]annulen-5-one |
| MolecularFormula | C16H14OS |
| Smiles | O=C(c1c(CCC2)cccc1)/C2=C/c1cccs1 |
| InChI | InChI=1S/C16H14OS/c17-16-13(11-14-8-4-10-18-14)7-3-6-12-5-1-2-9-15(12)16/h1-2,4-5,8-11H,3,6-7H2 |
| InChIK | GHCVFJLKEAJMOJ-UHFFFAOYSA-N |
| TotalMolweight | 254.352 |
| Molweight | 254.352 |
| MonoisotopicMass | 254.076535 |
| CLogP | 4.2214 |
| CLogS | -4.563 |
| H Acceptors | 1 |
| TotalSurfaceArea | 199.2 |
| Relative PSA | 0.16767 |
| PolarSurfaceArea | 45.31 |
| Druglikeness | -0.2535 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.55556 |
| Fragments | 1 |
| Non HAtoms | 18 |
| NonCHAtoms | 2 |
| Electronegative Atoms | 2 |
| Rotatable Bond | 1 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 3 |
| StereoCon |
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