(Z)-3-[2-(difluoromethoxy)phenyl]-2-pyridin-2-ylprop-2-enenitrile
Formula:C15H10N2OF2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(Z)-3-[2-(difluoromethoxy)phenyl]-2-pyridin-2-ylprop-2-enenitrile is a drug-like molecule.
| MolName | (Z)-3-[2-(difluoromethoxy)phenyl]-2-pyridin-2-ylprop-2-enenitrile |
| MolecularFormula | C15H10N2OF2 |
| Smiles | N#C/C(/c1ncccc1)=C\c(cccc1)c1OC(F)F |
| InChI | InChI=1S/C15H10F2N2O/c16-15(17)20-14-7-2-1-5-11(14)9-12(10-18)13-6-3-4-8-19-13/h1-9,15H |
| InChIK | AZKYOYGBFUTGEI-UHFFFAOYSA-N |
| TotalMolweight | 272.253 |
| Molweight | 272.253 |
| MonoisotopicMass | 272.076119 |
| CLogP | 2.5551 |
| CLogS | -3.48 |
| H Acceptors | 3 |
| TotalSurfaceArea | 213.4 |
| Relative PSA | 0.16181 |
| PolarSurfaceArea | 45.91 |
| Druglikeness | -7.6969 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.55 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 2 |
| Symmetricatoms | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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