(E)-3-(4-bromophenyl)-1-dibenzofuran-2-ylprop-2-en-1-one
Formula:C21H13O2Br
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-3-(4-bromophenyl)-1-dibenzofuran-2-ylprop-2-en-1-one is not a drug-like molecule.
| MolName | (E)-3-(4-bromophenyl)-1-dibenzofuran-2-ylprop-2-en-1-one |
| MolecularFormula | C21H13O2Br |
| Smiles | O=C(/C=C/c(cc1)ccc1Br)c(cc1)cc2c1oc1c2cccc1 |
| InChI | InChI=1S/C21H13BrO2/c22-16-9-5-14(6-10-16)7-11-19(23)15-8-12-21-18(13-15)17-3-1-2-4-20(17)24-21/h1-13H |
| InChIK | RDEHRHOPMBYVHA-UHFFFAOYSA-N |
| TotalMolweight | 377.236 |
| Molweight | 377.236 |
| MonoisotopicMass | 376.009891 |
| CLogP | 5.7975 |
| CLogS | -7.334 |
| H Acceptors | 2 |
| TotalSurfaceArea | 254.79 |
| Relative PSA | 0.10656 |
| PolarSurfaceArea | 30.21 |
| Druglikeness | -1.7052 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.625 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 3 |
| Rotatable Bond | 3 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 19 |
| Symmetricatoms | 2 |
| StereoCon |
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