(E)-3,3,3-trifluoro-1-nitroprop-1-ene
Formula:C3H2NO2F3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-3,3,3-trifluoro-1-nitroprop-1-ene is a drug-like molecule.
| MolName | (E)-3,3,3-trifluoro-1-nitroprop-1-ene |
| MolecularFormula | C3H2NO2F3 |
| Smiles | [O-][N+](/C=C/C(F)(F)F)=O |
| InChI | InChI=1S/C3H2F3NO2/c4-3(5,6)1-2-7(8)9/h1-2H |
| InChIK | FCKHHHXXJZMXBH-UHFFFAOYSA-N |
| TotalMolweight | 141.048 |
| Molweight | 141.048 |
| MonoisotopicMass | 141.003763 |
| CLogP | 0.1377 |
| CLogS | -2.138 |
| H Acceptors | 3 |
| TotalSurfaceArea | 93.13 |
| Relative PSA | 0.32664 |
| PolarSurfaceArea | 45.82 |
| Druglikeness | -14.284 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 9 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 2 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| AcidicOxygens | 1 |
| StereoCon |
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