(E)-3-pyridin-2-yl-1-[5-[(E)-3-pyridin-2-ylprop-2-enoyl]pyridin-3-yl]prop-2-en-1-one
Formula:C21H15N3O2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-3-pyridin-2-yl-1-[5-[(E)-3-pyridin-2-ylprop-2-enoyl]pyridin-3-yl]prop-2-en-1-one is a drug-like molecule.
| MolName | (E)-3-pyridin-2-yl-1-[5-[(E)-3-pyridin-2-ylprop-2-enoyl]pyridin-3-yl]prop-2-en-1-one |
| MolecularFormula | C21H15N3O2 |
| Smiles | O=C(/C=C/c1ncccc1)c1cc(C(/C=C/c2ncccc2)=O)cnc1 |
| InChI | InChI=1S/C21H15N3O2/c25-20(9-7-18-5-1-3-11-23-18)16-13-17(15-22-14-16)21(26)10-8-19-6-2-4-12-24-19/h1-15H |
| InChIK | TVOZXJYTWUQKPH-UHFFFAOYSA-N |
| TotalMolweight | 341.369 |
| Molweight | 341.369 |
| MonoisotopicMass | 341.116427 |
| CLogP | 2.0533 |
| CLogS | -3.727 |
| H Acceptors | 5 |
| TotalSurfaceArea | 277.56 |
| Relative PSA | 0.21253 |
| PolarSurfaceArea | 72.81 |
| Druglikeness | 0.28859 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.65385 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Symmetricatoms | 12 |
| Aromatic Nitrogens | 3 |
| StereoCon |
Click to Load Molecule:
1 - (E)-3-pyridin-2-yl-1-[5-[(E)-3-pyridin-2-ylprop-2-enoyl]pyridin-3-yl]prop-2-en-1-one | 2 - (E)-3-pyridin-2-yl-1-[5-[(E)-3-pyridin-2-ylprop-2-enoyl]pyridin-3-yl]prop-2-en-1-one
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off