(2Z)-2-benzylideneacenaphthylen-1-one
Formula:C19H12O
Mutagenic:high
Tumorigenic:high
Reproductive Effective:high
(2Z)-2-benzylideneacenaphthylen-1-one is a drug-like molecule.
| MolName | (2Z)-2-benzylideneacenaphthylen-1-one |
| MolecularFormula | C19H12O |
| Smiles | O=C(/C1=C\c2ccccc2)c2cccc3cccc1c23 |
| InChI | InChI=1S/C19H12O/c20-19-16-11-5-9-14-8-4-10-15(18(14)16)17(19)12-13-6-2-1-3-7-13/h1-12H |
| InChIK | XBJNICKWRVOQIS-UHFFFAOYSA-N |
| TotalMolweight | 256.303 |
| Molweight | 256.303 |
| MonoisotopicMass | 256.088815 |
| CLogP | 4.2728 |
| CLogS | -5.317 |
| H Acceptors | 1 |
| TotalSurfaceArea | 196.58 |
| Relative PSA | 0.066334 |
| PolarSurfaceArea | 17.07 |
| Druglikeness | 0.45162 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 1 |
| Electronegative Atoms | 1 |
| Rotatable Bond | 1 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Symmetricatoms | 2 |
| StereoCon |
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