(2E)-2-[(3-phenylmethoxyphenyl)methylidene]-3,4-dihydronaphthalen-1-one
Formula:C24H20O2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
(2E)-2-[(3-phenylmethoxyphenyl)methylidene]-3,4-dihydronaphthalen-1-one is not a drug-like molecule.
| MolName | (2E)-2-[(3-phenylmethoxyphenyl)methylidene]-3,4-dihydronaphthalen-1-one |
| MolecularFormula | C24H20O2 |
| Smiles | O=C(/C(/CC1)=C/c2cc(OCc3ccccc3)ccc2)c2c1cccc2 |
| InChI | InChI=1S/C24H20O2/c25-24-21(14-13-20-10-4-5-12-23(20)24)15-19-9-6-11-22(16-19)26-17-18-7-2-1-3-8-18/h1-12,15-16H,13-14,17H2 |
| InChIK | CXNFRWYMZSBCQT-UHFFFAOYSA-N |
| TotalMolweight | 340.421 |
| Molweight | 340.421 |
| MonoisotopicMass | 340.14633 |
| CLogP | 5.3609 |
| CLogS | -5.624 |
| H Acceptors | 2 |
| TotalSurfaceArea | 273.02 |
| Relative PSA | 0.084389 |
| PolarSurfaceArea | 26.3 |
| Druglikeness | -0.46557 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.61538 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 2 |
| Electronegative Atoms | 2 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 4 |
| Symmetricatoms | 2 |
| StereoCon |
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