(E)-1-(5-bromo-2-hydroxyphenyl)-3-pyridin-3-ylprop-2-en-1-one
Formula:C14H10NO2Br
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-1-(5-bromo-2-hydroxyphenyl)-3-pyridin-3-ylprop-2-en-1-one is a drug-like molecule.
| MolName | (E)-1-(5-bromo-2-hydroxyphenyl)-3-pyridin-3-ylprop-2-en-1-one |
| MolecularFormula | C14H10NO2Br |
| Smiles | Oc(ccc(Br)c1)c1C(/C=C/c1cnccc1)=O |
| InChI | InChI=1S/C14H10BrNO2/c15-11-4-6-14(18)12(8-11)13(17)5-3-10-2-1-7-16-9-10/h1-9,18H |
| InChIK | OYJFXYTWHZAQPD-UHFFFAOYSA-N |
| TotalMolweight | 304.142 |
| Molweight | 304.142 |
| MonoisotopicMass | 302.98949 |
| CLogP | 2.6824 |
| CLogS | -3.583 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 201.01 |
| Relative PSA | 0.18462 |
| PolarSurfaceArea | 50.19 |
| Druglikeness | -1.4806 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.61111 |
| Fragments | 1 |
| Non HAtoms | 18 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 3 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon |
Click to Load Molecule:
1 - (E)-1-(5-bromo-2-hydroxyphenyl)-3-pyridin-3-ylprop-2-en-1-one | 2 - (E)-1-(5-bromo-2-hydroxyphenyl)-3-pyridin-3-ylprop-2-en-1-one
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off