4-[(Z)-2-cyano-2-pyridin-2-ylethenyl]benzonitrile
Formula:C15H9N3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
4-[(Z)-2-cyano-2-pyridin-2-ylethenyl]benzonitrile is a drug-like molecule.
| MolName | 4-[(Z)-2-cyano-2-pyridin-2-ylethenyl]benzonitrile |
| MolecularFormula | C15H9N3 |
| Smiles | N#C/C(/c1ncccc1)=C\c(cc1)ccc1C#N |
| InChI | InChI=1S/C15H9N3/c16-10-13-6-4-12(5-7-13)9-14(11-17)15-3-1-2-8-18-15/h1-9H |
| InChIK | NJILFBPLJCTFLJ-UHFFFAOYSA-N |
| TotalMolweight | 231.257 |
| Molweight | 231.257 |
| MonoisotopicMass | 231.079647 |
| CLogP | 2.2213 |
| CLogS | -3.631 |
| H Acceptors | 3 |
| TotalSurfaceArea | 199.91 |
| Relative PSA | 0.19054 |
| PolarSurfaceArea | 60.47 |
| Druglikeness | -5.0798 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 18 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 3 |
| Rotatable Bond | 2 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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