(E)-4,4,4-trifluorobut-2-enenitrile
Formula:C4H2NF3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-4,4,4-trifluorobut-2-enenitrile is a drug-like molecule.
| MolName | (E)-4,4,4-trifluorobut-2-enenitrile |
| MolecularFormula | C4H2NF3 |
| Smiles | N#C/C=C/C(F)(F)F |
| InChI | InChI=1S/C4H2F3N/c5-4(6,7)2-1-3-8/h1-2H |
| InChIK | LHWSEFCIRYVTLZ-UHFFFAOYSA-N |
| TotalMolweight | 121.061 |
| Molweight | 121.061 |
| MonoisotopicMass | 121.013933 |
| CLogP | 1.3637 |
| CLogS | -2.184 |
| H Acceptors | 1 |
| TotalSurfaceArea | 91.17 |
| Relative PSA | 0.14873 |
| PolarSurfaceArea | 23.79 |
| Druglikeness | -12.897 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.75 |
| Fragments | 1 |
| Non HAtoms | 8 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 1 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| StereoCon |
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