(Z)-3-naphthalen-1-yl-2-pyridin-2-ylprop-2-enenitrile
Formula:C18H12N2
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
(Z)-3-naphthalen-1-yl-2-pyridin-2-ylprop-2-enenitrile is a drug-like molecule.
| MolName | (Z)-3-naphthalen-1-yl-2-pyridin-2-ylprop-2-enenitrile |
| MolecularFormula | C18H12N2 |
| Smiles | N#C/C(/c1ncccc1)=C\c1cccc2ccccc12 |
| InChI | InChI=1S/C18H12N2/c19-13-16(18-10-3-4-11-20-18)12-15-8-5-7-14-6-1-2-9-17(14)15/h1-12H |
| InChIK | LFWISBONUKNTDB-UHFFFAOYSA-N |
| TotalMolweight | 256.307 |
| Molweight | 256.307 |
| MonoisotopicMass | 256.100048 |
| CLogP | 3.5801 |
| CLogS | -4.464 |
| H Acceptors | 2 |
| TotalSurfaceArea | 212.8 |
| Relative PSA | 0.11527 |
| PolarSurfaceArea | 36.68 |
| Druglikeness | -5.0798 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.55 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 2 |
| Electronegative Atoms | 2 |
| Rotatable Bond | 2 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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