(E)-1-(4-bromophenyl)-3-naphthalen-1-ylprop-2-en-1-one
Formula:C19H13OBr
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
(E)-1-(4-bromophenyl)-3-naphthalen-1-ylprop-2-en-1-one is not a drug-like molecule.
| MolName | (E)-1-(4-bromophenyl)-3-naphthalen-1-ylprop-2-en-1-one |
| MolecularFormula | C19H13OBr |
| Smiles | O=C(/C=C/c1cccc2ccccc12)c(cc1)ccc1Br |
| InChI | InChI=1S/C19H13BrO/c20-17-11-8-16(9-12-17)19(21)13-10-15-6-3-5-14-4-1-2-7-18(14)15/h1-13H |
| InChIK | SMKOZOJSIIZLHV-UHFFFAOYSA-N |
| TotalMolweight | 337.215 |
| Molweight | 337.215 |
| MonoisotopicMass | 336.014976 |
| CLogP | 5.2234 |
| CLogS | -6.28 |
| H Acceptors | 1 |
| TotalSurfaceArea | 230.5 |
| Relative PSA | 0.056573 |
| PolarSurfaceArea | 17.07 |
| Druglikeness | -1.6775 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.61905 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 2 |
| Electronegative Atoms | 2 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Symmetricatoms | 2 |
| StereoCon |
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