(E)-3-(4-phenylphenyl)prop-2-enal
Formula:C15H12O
Mutagenic:low
Tumorigenic:high
Reproductive Effective:none
(E)-3-(4-phenylphenyl)prop-2-enal is a drug-like molecule.
| MolName | (E)-3-(4-phenylphenyl)prop-2-enal |
| MolecularFormula | C15H12O |
| Smiles | O=C/C=C/c(cc1)ccc1-c1ccccc1 |
| InChI | InChI=1S/C15H12O/c16-12-4-5-13-8-10-15(11-9-13)14-6-2-1-3-7-14/h1-12H |
| InChIK | DEGNTTFHGNUFKP-UHFFFAOYSA-N |
| TotalMolweight | 208.259 |
| Molweight | 208.259 |
| MonoisotopicMass | 208.088815 |
| CLogP | 3.2704 |
| CLogS | -4.318 |
| H Acceptors | 1 |
| TotalSurfaceArea | 179.06 |
| Relative PSA | 0.072825 |
| PolarSurfaceArea | 17.07 |
| Druglikeness | -5.3892 |
| Mutagenic | low |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | low |
| Nasty Functions | |
| Shape Index | 0.75 |
| Fragments | 1 |
| Non HAtoms | 16 |
| NonCHAtoms | 1 |
| Electronegative Atoms | 1 |
| Rotatable Bond | 3 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Symmetricatoms | 4 |
| StereoCon |
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