(3-bromophenyl) (E)-3-phenylprop-2-enoate
Formula:C15H11O2Br
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(3-bromophenyl) (E)-3-phenylprop-2-enoate is a drug-like molecule.
| MolName | (3-bromophenyl) (E)-3-phenylprop-2-enoate |
| MolecularFormula | C15H11O2Br |
| Smiles | O=C(/C=C/c1ccccc1)Oc1cccc(Br)c1 |
| InChI | InChI=1S/C15H11BrO2/c16-13-7-4-8-14(11-13)18-15(17)10-9-12-5-2-1-3-6-12/h1-11H |
| InChIK | NSOCAUIOUMJWRD-UHFFFAOYSA-N |
| TotalMolweight | 303.154 |
| Molweight | 303.154 |
| MonoisotopicMass | 301.994241 |
| CLogP | 4.1445 |
| CLogS | -4.29 |
| H Acceptors | 2 |
| TotalSurfaceArea | 205.9 |
| Relative PSA | 0.1119 |
| PolarSurfaceArea | 26.3 |
| Druglikeness | -5.1082 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 18 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 3 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| StereoCon |
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