(E)-3-phenyl-1-(2-phenylmethoxynaphthalen-1-yl)prop-2-en-1-one
Formula:C26H20O2
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
(E)-3-phenyl-1-(2-phenylmethoxynaphthalen-1-yl)prop-2-en-1-one is not a drug-like molecule.
| MolName | (E)-3-phenyl-1-(2-phenylmethoxynaphthalen-1-yl)prop-2-en-1-one |
| MolecularFormula | C26H20O2 |
| Smiles | O=C(/C=C/c1ccccc1)c(c1ccccc1cc1)c1OCc1ccccc1 |
| InChI | InChI=1S/C26H20O2/c27-24(17-15-20-9-3-1-4-10-20)26-23-14-8-7-13-22(23)16-18-25(26)28-19-21-11-5-2-6-12-21/h1-18H,19H2 |
| InChIK | YDLIXDZCGHDVMB-UHFFFAOYSA-N |
| TotalMolweight | 364.443 |
| Molweight | 364.443 |
| MonoisotopicMass | 364.14633 |
| CLogP | 5.8463 |
| CLogS | -6.787 |
| H Acceptors | 2 |
| TotalSurfaceArea | 295.39 |
| Relative PSA | 0.077999 |
| PolarSurfaceArea | 26.3 |
| Druglikeness | -0.13751 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.53571 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 2 |
| Electronegative Atoms | 2 |
| Rotatable Bond | 6 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 22 |
| Sp3Atoms | 2 |
| Symmetricatoms | 4 |
| StereoCon |
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