(E)-4-amino-1,1,1-trifluorobut-3-en-2-one
Formula:C4H4NOF3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-4-amino-1,1,1-trifluorobut-3-en-2-one is a drug-like molecule.
| MolName | (E)-4-amino-1,1,1-trifluorobut-3-en-2-one |
| MolecularFormula | C4H4NOF3 |
| Smiles | N/C=C/C(C(F)(F)F)=O |
| InChI | InChI=1S/C4H4F3NO/c5-4(6,7)3(9)1-2-8/h1-2H,8H2 |
| InChIK | DHJDPIHFALRNER-UHFFFAOYSA-N |
| TotalMolweight | 139.076 |
| Molweight | 139.076 |
| MonoisotopicMass | 139.024498 |
| CLogP | -0.2536 |
| CLogS | -1.709 |
| H Acceptors | 2 |
| H Donors | 1 |
| TotalSurfaceArea | 95.73 |
| Relative PSA | 0.29573 |
| PolarSurfaceArea | 43.09 |
| Druglikeness | -33.25 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 9 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 2 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| StereoCon |
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1 - (E)-4-amino-1,1,1-trifluorobut-3-en-2-one | 2 - (E)-4-amino-1,1,1-trifluorobut-3-en-2-one
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