(E)-3-iodo-1,2-diphenylprop-2-en-1-one
Formula:C15H11OI
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-3-iodo-1,2-diphenylprop-2-en-1-one is a drug-like molecule.
| MolName | (E)-3-iodo-1,2-diphenylprop-2-en-1-one |
| MolecularFormula | C15H11OI |
| Smiles | O=C(/C(/c1ccccc1)=C/I)c1ccccc1 |
| InChI | InChI=1S/C15H11IO/c16-11-14(12-7-3-1-4-8-12)15(17)13-9-5-2-6-10-13/h1-11H |
| InChIK | HZYVHOBRARIHQT-UHFFFAOYSA-N |
| TotalMolweight | 334.151 |
| Molweight | 334.151 |
| MonoisotopicMass | 333.985463 |
| CLogP | 3.6432 |
| CLogS | -3.597 |
| H Acceptors | 1 |
| TotalSurfaceArea | 201.76 |
| Relative PSA | 0.064631 |
| PolarSurfaceArea | 17.07 |
| Druglikeness | 0.86587 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | 3-halo-enone |
| Shape Index | 0.58824 |
| Fragments | 1 |
| Non HAtoms | 17 |
| NonCHAtoms | 2 |
| Electronegative Atoms | 2 |
| Rotatable Bond | 3 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Symmetricatoms | 4 |
| StereoCon |
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