(E)-1,3-bis(4-phenylphenyl)prop-2-en-1-one
Formula:C27H20O
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-1,3-bis(4-phenylphenyl)prop-2-en-1-one is not a drug-like molecule.
| MolName | (E)-1,3-bis(4-phenylphenyl)prop-2-en-1-one |
| MolecularFormula | C27H20O |
| Smiles | O=C(/C=C/c(cc1)ccc1-c1ccccc1)c(cc1)ccc1-c1ccccc1 |
| InChI | InChI=1S/C27H20O/c28-27(26-18-16-25(17-19-26)23-9-5-2-6-10-23)20-13-21-11-14-24(15-12-21)22-7-3-1-4-8-22/h1-20H |
| InChIK | GTJVCHVSXJDZSX-UHFFFAOYSA-N |
| TotalMolweight | 360.455 |
| Molweight | 360.455 |
| MonoisotopicMass | 360.151415 |
| CLogP | 6.6222 |
| CLogS | -8.012 |
| H Acceptors | 1 |
| TotalSurfaceArea | 296.79 |
| Relative PSA | 0.043937 |
| PolarSurfaceArea | 17.07 |
| Druglikeness | 0.1125 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.67857 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 1 |
| Electronegative Atoms | 1 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 24 |
| Symmetricatoms | 8 |
| StereoCon |
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