(E)-1-naphthalen-2-yl-3-(3-phenylmethoxyphenyl)prop-2-en-1-one
Formula:C26H20O2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-1-naphthalen-2-yl-3-(3-phenylmethoxyphenyl)prop-2-en-1-one is not a drug-like molecule.
| MolName | (E)-1-naphthalen-2-yl-3-(3-phenylmethoxyphenyl)prop-2-en-1-one |
| MolecularFormula | C26H20O2 |
| Smiles | O=C(/C=C/c1cc(OCc2ccccc2)ccc1)c1cc2ccccc2cc1 |
| InChI | InChI=1S/C26H20O2/c27-26(24-15-14-22-10-4-5-11-23(22)18-24)16-13-20-9-6-12-25(17-20)28-19-21-7-2-1-3-8-21/h1-18H,19H2 |
| InChIK | HUIPPAQEHHJAKE-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 | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.64286 |
| 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 | 2 |
| StereoCon |
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