(E)-1-(5-bromo-2-hydroxyphenyl)-3-thiophen-2-ylprop-2-en-1-one
Formula:C13H9O2BrS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-1-(5-bromo-2-hydroxyphenyl)-3-thiophen-2-ylprop-2-en-1-one is a drug-like molecule.
| MolName | (E)-1-(5-bromo-2-hydroxyphenyl)-3-thiophen-2-ylprop-2-en-1-one |
| MolecularFormula | C13H9O2BrS |
| Smiles | Oc(ccc(Br)c1)c1C(/C=C/c1cccs1)=O |
| InChI | InChI=1S/C13H9BrO2S/c14-9-3-5-12(15)11(8-9)13(16)6-4-10-2-1-7-17-10/h1-8,15H |
| InChIK | HXCSYQIVFFLNNV-UHFFFAOYSA-N |
| TotalMolweight | 309.182 |
| Molweight | 309.182 |
| MonoisotopicMass | 307.950661 |
| CLogP | 3.5499 |
| CLogS | -4.388 |
| H Acceptors | 2 |
| H Donors | 1 |
| TotalSurfaceArea | 198.19 |
| Relative PSA | 0.23462 |
| PolarSurfaceArea | 65.54 |
| Druglikeness | 0.66582 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.58824 |
| Fragments | 1 |
| Non HAtoms | 17 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 3 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 1 |
| StereoCon |
Click to Load Molecule:
1 - (E)-1-(5-bromo-2-hydroxyphenyl)-3-thiophen-2-ylprop-2-en-1-one | 2 - (E)-1-(5-bromo-2-hydroxyphenyl)-3-thiophen-2-ylprop-2-en-1-one
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off