(E)-3-(3-chlorophenyl)-1-pyridin-2-ylprop-2-en-1-one
Formula:C14H10NOCl
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
(E)-3-(3-chlorophenyl)-1-pyridin-2-ylprop-2-en-1-one is a drug-like molecule.
| MolName | (E)-3-(3-chlorophenyl)-1-pyridin-2-ylprop-2-en-1-one |
| MolecularFormula | C14H10NOCl |
| Smiles | O=C(/C=C/c1cccc(Cl)c1)c1ncccc1 |
| InChI | InChI=1S/C14H10ClNO/c15-12-5-3-4-11(10-12)7-8-14(17)13-6-1-2-9-16-13/h1-10H |
| InChIK | HYYAYBSDFNHBDZ-UHFFFAOYSA-N |
| TotalMolweight | 243.692 |
| Molweight | 243.692 |
| MonoisotopicMass | 243.045091 |
| CLogP | 2.9629 |
| CLogS | -3.805 |
| H Acceptors | 2 |
| TotalSurfaceArea | 191.45 |
| Relative PSA | 0.12541 |
| PolarSurfaceArea | 29.96 |
| Druglikeness | 0.37141 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.64706 |
| Fragments | 1 |
| Non HAtoms | 17 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 3 |
| Rotatable Bond | 3 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Aromatic Nitrogens | 1 |
| StereoCon |
Click to Load Molecule:
1 - (E)-3-(3-chlorophenyl)-1-pyridin-2-ylprop-2-en-1-one | 2 - (E)-3-(3-chlorophenyl)-1-pyridin-2-ylprop-2-en-1-one
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off