(Z)-3-(4-phenylmethoxyphenyl)-2-pyridin-2-ylprop-2-enenitrile
Formula:C21H16N2O
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(Z)-3-(4-phenylmethoxyphenyl)-2-pyridin-2-ylprop-2-enenitrile is a drug-like molecule.
| MolName | (Z)-3-(4-phenylmethoxyphenyl)-2-pyridin-2-ylprop-2-enenitrile |
| MolecularFormula | C21H16N2O |
| Smiles | N#C/C(/c1ncccc1)=C\c(cc1)ccc1OCc1ccccc1 |
| InChI | InChI=1S/C21H16N2O/c22-15-19(21-8-4-5-13-23-21)14-17-9-11-20(12-10-17)24-16-18-6-2-1-3-7-18/h1-14H,16H2 |
| InChIK | FJKOVUKYJIQYAT-UHFFFAOYSA-N |
| TotalMolweight | 312.371 |
| Molweight | 312.371 |
| MonoisotopicMass | 312.126263 |
| CLogP | 3.7338 |
| CLogS | -4.199 |
| H Acceptors | 3 |
| TotalSurfaceArea | 261.72 |
| Relative PSA | 0.13193 |
| PolarSurfaceArea | 45.91 |
| Druglikeness | -5.2822 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 3 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 2 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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