3-[(E)-3-(4-bromophenyl)-3-oxoprop-1-enyl]chromen-4-one
Formula:C18H11O3Br
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
3-[(E)-3-(4-bromophenyl)-3-oxoprop-1-enyl]chromen-4-one is a drug-like molecule.
| MolName | 3-[(E)-3-(4-bromophenyl)-3-oxoprop-1-enyl]chromen-4-one |
| MolecularFormula | C18H11O3Br |
| Smiles | O=C(/C=C/C1=COc(cccc2)c2C1=O)c(cc1)ccc1Br |
| InChI | InChI=1S/C18H11BrO3/c19-14-8-5-12(6-9-14)16(20)10-7-13-11-22-17-4-2-1-3-15(17)18(13)21/h1-11H |
| InChIK | AQXAMDTXSACVFN-UHFFFAOYSA-N |
| TotalMolweight | 355.186 |
| Molweight | 355.186 |
| MonoisotopicMass | 353.989156 |
| CLogP | 3.7847 |
| CLogS | -5.244 |
| H Acceptors | 3 |
| TotalSurfaceArea | 234.86 |
| Relative PSA | 0.15362 |
| PolarSurfaceArea | 43.37 |
| Druglikeness | -1.007 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.63636 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| StereoCon |
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