(Z)-2-pyridin-2-yl-3-pyridin-4-ylprop-2-enenitrile
Formula:C13H9N3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(Z)-2-pyridin-2-yl-3-pyridin-4-ylprop-2-enenitrile is a drug-like molecule.
| MolName | (Z)-2-pyridin-2-yl-3-pyridin-4-ylprop-2-enenitrile |
| MolecularFormula | C13H9N3 |
| Smiles | N#C/C(/c1ncccc1)=C\c1ccncc1 |
| InChI | InChI=1S/C13H9N3/c14-10-12(13-3-1-2-6-16-13)9-11-4-7-15-8-5-11/h1-9H |
| InChIK | CVRARXQSJXGYBH-UHFFFAOYSA-N |
| TotalMolweight | 207.235 |
| Molweight | 207.235 |
| MonoisotopicMass | 207.079647 |
| CLogP | 1.3848 |
| CLogS | -2.063 |
| H Acceptors | 3 |
| TotalSurfaceArea | 176.96 |
| Relative PSA | 0.20061 |
| PolarSurfaceArea | 49.57 |
| Druglikeness | -5.0798 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.625 |
| Fragments | 1 |
| Non HAtoms | 16 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 3 |
| Rotatable Bond | 2 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 2 |
| StereoCon |
Click to Load Molecule:
1 - (Z)-2-pyridin-2-yl-3-pyridin-4-ylprop-2-enenitrile | 2 - (Z)-2-pyridin-2-yl-3-pyridin-4-ylprop-2-enenitrile
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off