(E)-1-chloro-3,3,3-trifluoroprop-1-ene
Formula:C3H2ClF3
Mutagenic:low
Tumorigenic:low
Reproductive Effective:high
(E)-1-chloro-3,3,3-trifluoroprop-1-ene is a drug-like molecule.
| MolName | (E)-1-chloro-3,3,3-trifluoroprop-1-ene |
| MolecularFormula | C3H2ClF3 |
| Smiles | FC(/C=C/Cl)(F)F |
| InChI | InChI=1S/C3H2ClF3/c4-2-1-3(5,6)7/h1-2H |
| InChIK | LDTMPQQAWUMPKS-UHFFFAOYSA-N |
| TotalMolweight | 130.496 |
| Molweight | 130.496 |
| MonoisotopicMass | 129.979711 |
| CLogP | 1.8537 |
| CLogS | -2.341 |
| TotalSurfaceArea | 84.88 |
| Druglikeness | -8.8453 |
| Mutagenic | low |
| Tumorigenic | low |
| Reproductive Effective | high |
| Irritant | low |
| Nasty Functions | |
| Shape Index | 0.71429 |
| Fragments | 1 |
| Non HAtoms | 7 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 1 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| StereoCon |
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1 - (E)-1-chloro-3,3,3-trifluoroprop-1-ene | 2 - (E)-1-chloro-3,3,3-trifluoroprop-1-ene
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