(2E)-2-phenylmethoxyiminoacenaphthylen-1-one
Formula:C19H13NO2
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
(2E)-2-phenylmethoxyiminoacenaphthylen-1-one is a drug-like molecule.
| MolName | (2E)-2-phenylmethoxyiminoacenaphthylen-1-one |
| MolecularFormula | C19H13NO2 |
| Smiles | O=C(c1cccc2cccc3c12)/C3=N/OCc1ccccc1 |
| InChI | InChI=1S/C19H13NO2/c21-19-16-11-5-9-14-8-4-10-15(17(14)16)18(19)20-22-12-13-6-2-1-3-7-13/h1-11H,12H2 |
| InChIK | WNGDHKHNYUBZMX-UHFFFAOYSA-N |
| TotalMolweight | 287.317 |
| Molweight | 287.317 |
| MonoisotopicMass | 287.094629 |
| CLogP | 4.468 |
| CLogS | -5.838 |
| H Acceptors | 3 |
| TotalSurfaceArea | 218.6 |
| Relative PSA | 0.15805 |
| PolarSurfaceArea | 38.66 |
| Druglikeness | 2.0378 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.54545 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 3 |
| Rotatable Bond | 3 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| StereoCon |
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