(4-bromonaphthalen-1-yl) (E)-3-phenylprop-2-enoate
Formula:C19H13O2Br
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(4-bromonaphthalen-1-yl) (E)-3-phenylprop-2-enoate is not a drug-like molecule.
| MolName | (4-bromonaphthalen-1-yl) (E)-3-phenylprop-2-enoate |
| MolecularFormula | C19H13O2Br |
| Smiles | O=C(/C=C/c1ccccc1)Oc(c1ccccc11)ccc1Br |
| InChI | InChI=1S/C19H13BrO2/c20-17-11-12-18(16-9-5-4-8-15(16)17)22-19(21)13-10-14-6-2-1-3-7-14/h1-13H |
| InChIK | SBYXXTDDFCRMCE-UHFFFAOYSA-N |
| TotalMolweight | 353.214 |
| Molweight | 353.214 |
| MonoisotopicMass | 352.009891 |
| CLogP | 5.3389 |
| CLogS | -5.896 |
| H Acceptors | 2 |
| TotalSurfaceArea | 240.5 |
| Relative PSA | 0.0958 |
| PolarSurfaceArea | 26.3 |
| Druglikeness | -5.1082 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | |
| Shape Index | 0.59091 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 3 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| StereoCon |
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