(Z)-2,3-dipyridin-4-ylprop-2-enenitrile
Formula:C13H9N3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(Z)-2,3-dipyridin-4-ylprop-2-enenitrile is a drug-like molecule.
| MolName | (Z)-2,3-dipyridin-4-ylprop-2-enenitrile |
| MolecularFormula | C13H9N3 |
| Smiles | N#C/C(/c1ccncc1)=C\c1ccncc1 |
| InChI | InChI=1S/C13H9N3/c14-10-13(12-3-7-16-8-4-12)9-11-1-5-15-6-2-11/h1-9H |
| InChIK | CUSOMNKCPGAKBP-UHFFFAOYSA-N |
| TotalMolweight | 207.235 |
| Molweight | 207.235 |
| MonoisotopicMass | 207.079647 |
| CLogP | 1.3308 |
| CLogS | -2.039 |
| 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 | 4 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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