(Z)-3-[5-(2,4-dichlorophenyl)furan-2-yl]-2-pyridin-2-ylprop-2-enenitrile
Formula:C18H10N2OCl2
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
(Z)-3-[5-(2,4-dichlorophenyl)furan-2-yl]-2-pyridin-2-ylprop-2-enenitrile is a drug-like molecule.
| MolName | (Z)-3-[5-(2,4-dichlorophenyl)furan-2-yl]-2-pyridin-2-ylprop-2-enenitrile |
| MolecularFormula | C18H10N2OCl2 |
| Smiles | N#C/C(/c1ncccc1)=C\c1ccc(-c(ccc(Cl)c2)c2Cl)o1 |
| InChI | InChI=1S/C18H10Cl2N2O/c19-13-4-6-15(16(20)10-13)18-7-5-14(23-18)9-12(11-21)17-3-1-2-8-22-17/h1-10H |
| InChIK | IOHJDCWHJXBQFE-UHFFFAOYSA-N |
| TotalMolweight | 341.196 |
| Molweight | 341.196 |
| MonoisotopicMass | 340.017017 |
| CLogP | 4.5366 |
| CLogS | -5.79 |
| H Acceptors | 3 |
| TotalSurfaceArea | 258.49 |
| Relative PSA | 0.14948 |
| PolarSurfaceArea | 49.82 |
| Druglikeness | -3.4929 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.6087 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Aromatic Nitrogens | 1 |
| StereoCon |
Click to Load Molecule:
1 - (Z)-3-[5-(2,4-dichlorophenyl)furan-2-yl]-2-pyridin-2-ylprop-2-enenitrile | 2 - (Z)-3-[5-(2,4-dichlorophenyl)furan-2-yl]-2-pyridin-2-ylprop-2-enenitrile
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off