(Z)-4-difluoroboranyloxy-4-phenylbut-3-en-2-one
Formula:C10H9O2BF2
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
(Z)-4-difluoroboranyloxy-4-phenylbut-3-en-2-one is a drug-like molecule.
| MolName | (Z)-4-difluoroboranyloxy-4-phenylbut-3-en-2-one |
| MolecularFormula | C10H9O2BF2 |
| Smiles | CC(/C=C(/c1ccccc1)\OB(F)F)=O |
| InChI | InChI=1S/C10H9BF2O2/c1-8(14)7-10(15-11(12)13)9-5-3-2-4-6-9/h2-7H,1H3 |
| InChIK | CXVNVHYNTQHBER-UHFFFAOYSA-N |
| TotalMolweight | 209.986 |
| Molweight | 209.986 |
| MonoisotopicMass | 210.066366 |
| CLogP | 1.5214 |
| CLogS | -1.645 |
| H Acceptors | 2 |
| TotalSurfaceArea | 165.28 |
| Relative PSA | 0.1394 |
| PolarSurfaceArea | 26.3 |
| Druglikeness | -10.542 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | low |
| Nasty Functions | unwanted atom |
| Shape Index | 0.53333 |
| Fragments | 1 |
| Non HAtoms | 15 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 4 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 2 |
| Symmetricatoms | 3 |
| StereoCon |
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