(2E,4E)-1-naphthalen-2-yl-5-phenylpenta-2,4-dien-1-one
Formula:C21H16O
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(2E,4E)-1-naphthalen-2-yl-5-phenylpenta-2,4-dien-1-one is not a drug-like molecule.
| MolName | (2E,4E)-1-naphthalen-2-yl-5-phenylpenta-2,4-dien-1-one |
| MolecularFormula | C21H16O |
| Smiles | O=C(/C=C/C=C/c1ccccc1)c1cc2ccccc2cc1 |
| InChI | InChI=1S/C21H16O/c22-21(13-7-4-10-17-8-2-1-3-9-17)20-15-14-18-11-5-6-12-19(18)16-20/h1-16H |
| InChIK | KPPOVOMNCMSREF-UHFFFAOYSA-N |
| TotalMolweight | 284.357 |
| Molweight | 284.357 |
| MonoisotopicMass | 284.120115 |
| CLogP | 5.1548 |
| CLogS | -5.758 |
| H Acceptors | 1 |
| TotalSurfaceArea | 238.37 |
| Relative PSA | 0.054705 |
| PolarSurfaceArea | 17.07 |
| Druglikeness | 0.34559 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | |
| Shape Index | 0.68182 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 1 |
| Electronegative Atoms | 1 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Symmetricatoms | 2 |
| StereoCon |
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