(E)-4-hydroxy-4,4-diphenylbut-2-enal
Formula:C16H14O2
Mutagenic:low
Tumorigenic:high
Reproductive Effective:none
(E)-4-hydroxy-4,4-diphenylbut-2-enal is a drug-like molecule.
| MolName | (E)-4-hydroxy-4,4-diphenylbut-2-enal |
| MolecularFormula | C16H14O2 |
| Smiles | OC(/C=C/C=O)(c1ccccc1)c1ccccc1 |
| InChI | InChI=1S/C16H14O2/c17-13-7-12-16(18,14-8-3-1-4-9-14)15-10-5-2-6-11-15/h1-13,18H |
| InChIK | DEOXVRLGADPIGR-UHFFFAOYSA-N |
| TotalMolweight | 238.285 |
| Molweight | 238.285 |
| MonoisotopicMass | 238.09938 |
| CLogP | 2.2189 |
| CLogS | -2.88 |
| H Acceptors | 2 |
| H Donors | 1 |
| TotalSurfaceArea | 195.82 |
| Relative PSA | 0.13349 |
| PolarSurfaceArea | 37.3 |
| Druglikeness | -4.1967 |
| Mutagenic | low |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | low |
| Nasty Functions | |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 18 |
| NonCHAtoms | 2 |
| Electronegative Atoms | 2 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 2 |
| Symmetricatoms | 8 |
| StereoCon |
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