(2E)-2-(2H-acenaphthylen-1-ylidene)acenaphthylen-1-one
Formula:C24H14O
Mutagenic:high
Tumorigenic:high
Reproductive Effective:high
(2E)-2-(2H-acenaphthylen-1-ylidene)acenaphthylen-1-one is not a drug-like molecule.
| MolName | (2E)-2-(2H-acenaphthylen-1-ylidene)acenaphthylen-1-one |
| MolecularFormula | C24H14O |
| Smiles | O=C(c1cccc2cccc3c12)/C3=C(\C1)/c2cccc3cccc1c23 |
| InChI | InChI=1S/C24H14O/c25-24-19-12-4-8-15-7-3-11-18(22(15)19)23(24)20-13-16-9-1-5-14-6-2-10-17(20)21(14)16/h1-12H,13H2 |
| InChIK | JSWJSPMNGGIXBV-UHFFFAOYSA-N |
| TotalMolweight | 318.374 |
| Molweight | 318.374 |
| MonoisotopicMass | 318.104465 |
| CLogP | 5.2298 |
| CLogS | -6.701 |
| H Acceptors | 1 |
| TotalSurfaceArea | 229.65 |
| Relative PSA | 0.056782 |
| PolarSurfaceArea | 17.07 |
| Druglikeness | 0.36342 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.4 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 1 |
| Electronegative Atoms | 1 |
| Rings Closures | 6 |
| Small Rings | 6 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 20 |
| Sp3Atoms | 1 |
| StereoCon |
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