(Z)-3-amino-4,4-difluoro-1-phenylbut-2-en-1-one
Formula:C10H9NOF2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:low
(Z)-3-amino-4,4-difluoro-1-phenylbut-2-en-1-one is a drug-like molecule.
| MolName | (Z)-3-amino-4,4-difluoro-1-phenylbut-2-en-1-one |
| MolecularFormula | C10H9NOF2 |
| Smiles | N/C(/C(F)F)=C\C(c1ccccc1)=O |
| InChI | InChI=1S/C10H9F2NO/c11-10(12)8(13)6-9(14)7-4-2-1-3-5-7/h1-6,10H,13H2 |
| InChIK | XSYDPJNELYETQI-UHFFFAOYSA-N |
| TotalMolweight | 197.183 |
| Molweight | 197.183 |
| MonoisotopicMass | 197.06522 |
| CLogP | 1.3907 |
| CLogS | -3.09 |
| H Acceptors | 2 |
| H Donors | 1 |
| TotalSurfaceArea | 149.44 |
| Relative PSA | 0.18944 |
| PolarSurfaceArea | 43.09 |
| Druglikeness | -2.6375 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.64286 |
| Fragments | 1 |
| Non HAtoms | 14 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 3 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 1 |
| Symmetricatoms | 3 |
| StereoCon |
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