(E)-3-(5-bromo-1H-indol-3-yl)-1-pyridin-4-ylprop-2-en-1-one
Formula:C16H11N2OBr
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-3-(5-bromo-1H-indol-3-yl)-1-pyridin-4-ylprop-2-en-1-one is a drug-like molecule.
| MolName | (E)-3-(5-bromo-1H-indol-3-yl)-1-pyridin-4-ylprop-2-en-1-one |
| MolecularFormula | C16H11N2OBr |
| Smiles | O=C(/C=C/c1c[nH]c(cc2)c1cc2Br)c1ccncc1 |
| InChI | InChI=1S/C16H11BrN2O/c17-13-2-3-15-14(9-13)12(10-19-15)1-4-16(20)11-5-7-18-8-6-11/h1-10,19H |
| InChIK | DWJJHEMSKLZAQJ-UHFFFAOYSA-N |
| TotalMolweight | 327.18 |
| Molweight | 327.18 |
| MonoisotopicMass | 326.005474 |
| CLogP | 3.0675 |
| CLogS | -4.404 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 218.83 |
| Relative PSA | 0.17365 |
| PolarSurfaceArea | 45.75 |
| Druglikeness | -0.83367 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.6 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 15 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 2 |
| StereoCon |
Click to Load Molecule:
1 - (E)-3-(5-bromo-1H-indol-3-yl)-1-pyridin-4-ylprop-2-en-1-one | 2 - (E)-3-(5-bromo-1H-indol-3-yl)-1-pyridin-4-ylprop-2-en-1-one
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off