(E)-1-phenyl-3-(2-phenylphenyl)prop-2-en-1-one
Formula:C21H16O
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-1-phenyl-3-(2-phenylphenyl)prop-2-en-1-one is a drug-like molecule.
| MolName | (E)-1-phenyl-3-(2-phenylphenyl)prop-2-en-1-one |
| MolecularFormula | C21H16O |
| Smiles | O=C(/C=C/c(cccc1)c1-c1ccccc1)c1ccccc1 |
| InChI | InChI=1S/C21H16O/c22-21(19-12-5-2-6-13-19)16-15-18-11-7-8-14-20(18)17-9-3-1-4-10-17/h1-16H |
| InChIK | QNCVIMGJHDEDAS-UHFFFAOYSA-N |
| TotalMolweight | 284.357 |
| Molweight | 284.357 |
| MonoisotopicMass | 284.120115 |
| CLogP | 4.963 |
| CLogS | -5.926 |
| H Acceptors | 1 |
| TotalSurfaceArea | 237.03 |
| Relative PSA | 0.055014 |
| PolarSurfaceArea | 17.07 |
| Druglikeness | 0.1125 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.59091 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 1 |
| Electronegative Atoms | 1 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Symmetricatoms | 4 |
| StereoCon |
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