(Z)-2-phenyl-3-pyridin-4-ylprop-2-enenitrile
Formula:C14H10N2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(Z)-2-phenyl-3-pyridin-4-ylprop-2-enenitrile is a drug-like molecule.
| MolName | (Z)-2-phenyl-3-pyridin-4-ylprop-2-enenitrile |
| MolecularFormula | C14H10N2 |
| Smiles | N#C/C(/c1ccccc1)=C\c1ccncc1 |
| InChI | InChI=1S/C14H10N2/c15-11-14(13-4-2-1-3-5-13)10-12-6-8-16-9-7-12/h1-10H |
| InChIK | LWLKQRNTRMQQAO-UHFFFAOYSA-N |
| TotalMolweight | 206.247 |
| Molweight | 206.247 |
| MonoisotopicMass | 206.084398 |
| CLogP | 2.3317 |
| CLogS | -2.834 |
| H Acceptors | 2 |
| TotalSurfaceArea | 178.2 |
| Relative PSA | 0.13765 |
| PolarSurfaceArea | 36.68 |
| Druglikeness | -5.0798 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.625 |
| Fragments | 1 |
| Non HAtoms | 16 |
| NonCHAtoms | 2 |
| Electronegative Atoms | 2 |
| Rotatable Bond | 2 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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