(E)-1-(1-benzofuran-2-yl)-3-(4-bromophenyl)prop-2-en-1-one
Formula:C17H11O2Br
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-1-(1-benzofuran-2-yl)-3-(4-bromophenyl)prop-2-en-1-one is a drug-like molecule.
| MolName | (E)-1-(1-benzofuran-2-yl)-3-(4-bromophenyl)prop-2-en-1-one |
| MolecularFormula | C17H11O2Br |
| Smiles | O=C(/C=C/c(cc1)ccc1Br)c1cc(cccc2)c2o1 |
| InChI | InChI=1S/C17H11BrO2/c18-14-8-5-12(6-9-14)7-10-15(19)17-11-13-3-1-2-4-16(13)20-17/h1-11H |
| InChIK | MLFBRYLZEOMJPS-UHFFFAOYSA-N |
| TotalMolweight | 327.176 |
| Molweight | 327.176 |
| MonoisotopicMass | 325.994241 |
| CLogP | 4.5346 |
| CLogS | -5.857 |
| H Acceptors | 2 |
| TotalSurfaceArea | 220.19 |
| Relative PSA | 0.1233 |
| PolarSurfaceArea | 30.21 |
| Druglikeness | -0.93437 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.65 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 3 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 15 |
| Symmetricatoms | 2 |
| StereoCon |
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