(Z)-3-pyridin-3-yl-2-[3-(trifluoromethyl)phenyl]prop-2-enenitrile
Formula:C15H9N2F3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(Z)-3-pyridin-3-yl-2-[3-(trifluoromethyl)phenyl]prop-2-enenitrile is a drug-like molecule.
| MolName | (Z)-3-pyridin-3-yl-2-[3-(trifluoromethyl)phenyl]prop-2-enenitrile |
| MolecularFormula | C15H9N2F3 |
| Smiles | N#C/C(/c1cccc(C(F)(F)F)c1)=C\c1cnccc1 |
| InChI | InChI=1S/C15H9F3N2/c16-15(17,18)14-5-1-4-12(8-14)13(9-19)7-11-3-2-6-20-10-11/h1-8,10H |
| InChIK | NLBJPYVNPDVECX-UHFFFAOYSA-N |
| TotalMolweight | 274.244 |
| Molweight | 274.244 |
| MonoisotopicMass | 274.071782 |
| CLogP | 3.18 |
| CLogS | -3.612 |
| H Acceptors | 2 |
| TotalSurfaceArea | 207.66 |
| Relative PSA | 0.11813 |
| PolarSurfaceArea | 36.68 |
| Druglikeness | -12.27 |
| 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 | 3 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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1 - (Z)-3-pyridin-3-yl-2-[3-(trifluoromethyl)phenyl]prop-2-enenitrile | 2 - (Z)-3-pyridin-3-yl-2-[3-(trifluoromethyl)phenyl]prop-2-enenitrile
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