2-phenyl-6-[(E)-2-phenylethenyl]pyran-4-one
Formula:C19H14O2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-phenyl-6-[(E)-2-phenylethenyl]pyran-4-one is a drug-like molecule.
| MolName | 2-phenyl-6-[(E)-2-phenylethenyl]pyran-4-one |
| MolecularFormula | C19H14O2 |
| Smiles | O=C1C=C(c2ccccc2)OC(/C=C/c2ccccc2)=C1 |
| InChI | InChI=1S/C19H14O2/c20-17-13-18(12-11-15-7-3-1-4-8-15)21-19(14-17)16-9-5-2-6-10-16/h1-14H |
| InChIK | XKHXNCXAVJCXKW-UHFFFAOYSA-N |
| TotalMolweight | 274.318 |
| Molweight | 274.318 |
| MonoisotopicMass | 274.09938 |
| CLogP | 4.0504 |
| CLogS | -4.243 |
| H Acceptors | 2 |
| TotalSurfaceArea | 223.19 |
| Relative PSA | 0.10323 |
| PolarSurfaceArea | 26.3 |
| Druglikeness | 0.79824 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.61905 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 2 |
| Electronegative Atoms | 2 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 1 |
| Symmetricatoms | 4 |
| StereoCon |
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