(E)-1-[4-(4-iodophenyl)phenyl]-3-phenylprop-2-en-1-one
Formula:C21H15OI
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-1-[4-(4-iodophenyl)phenyl]-3-phenylprop-2-en-1-one is not a drug-like molecule.
| MolName | (E)-1-[4-(4-iodophenyl)phenyl]-3-phenylprop-2-en-1-one |
| MolecularFormula | C21H15OI |
| Smiles | O=C(/C=C/c1ccccc1)c(cc1)ccc1-c(cc1)ccc1I |
| InChI | InChI=1S/C21H15IO/c22-20-13-11-18(12-14-20)17-7-9-19(10-8-17)21(23)15-6-16-4-2-1-3-5-16/h1-15H |
| InChIK | BGMCDGRPDQXNCM-UHFFFAOYSA-N |
| TotalMolweight | 410.249 |
| Molweight | 410.249 |
| MonoisotopicMass | 410.016763 |
| CLogP | 5.4001 |
| CLogS | -6.942 |
| H Acceptors | 1 |
| TotalSurfaceArea | 263.31 |
| Relative PSA | 0.049523 |
| PolarSurfaceArea | 17.07 |
| Druglikeness | 0.80777 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.69565 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 2 |
| Electronegative Atoms | 2 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Symmetricatoms | 6 |
| StereoCon |
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