2-[(E)-2-phenylethenyl]fluoren-9-one
Formula:C21H14O
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
2-[(E)-2-phenylethenyl]fluoren-9-one is not a drug-like molecule.
| MolName | 2-[(E)-2-phenylethenyl]fluoren-9-one |
| MolecularFormula | C21H14O |
| Smiles | O=C1c(cc(/C=C/c2ccccc2)cc2)c2-c2c1cccc2 |
| InChI | InChI=1S/C21H14O/c22-21-19-9-5-4-8-17(19)18-13-12-16(14-20(18)21)11-10-15-6-2-1-3-7-15/h1-14H |
| InChIK | DCPMKCNOXBHOQT-UHFFFAOYSA-N |
| TotalMolweight | 282.341 |
| Molweight | 282.341 |
| MonoisotopicMass | 282.104465 |
| CLogP | 5.3829 |
| CLogS | -6.852 |
| H Acceptors | 1 |
| TotalSurfaceArea | 223.53 |
| Relative PSA | 0.058337 |
| PolarSurfaceArea | 17.07 |
| Druglikeness | -0.82829 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.59091 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 1 |
| Electronegative Atoms | 1 |
| Rotatable Bond | 2 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Symmetricatoms | 2 |
| StereoCon |
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