(E)-1-(1-difluoroboranyloxynaphthalen-2-yl)-3-(4-phenylmethoxyphenyl)prop-2-en-1-one
Formula:C26H19O3BF2
Mutagenic:low
Tumorigenic:low
Reproductive Effective:none
(E)-1-(1-difluoroboranyloxynaphthalen-2-yl)-3-(4-phenylmethoxyphenyl)prop-2-en-1-one is not a drug-like molecule.
| MolName | (E)-1-(1-difluoroboranyloxynaphthalen-2-yl)-3-(4-phenylmethoxyphenyl)prop-2-en-1-one |
| MolecularFormula | C26H19O3BF2 |
| Smiles | O=C(/C=C/c(cc1)ccc1OCc1ccccc1)c(ccc1ccccc11)c1OB(F)F |
| InChI | InChI=1S/C26H19BF2O3/c28-27(29)32-26-23-9-5-4-8-21(23)13-16-24(26)25(30)17-12-19-10-14-22(15-11-19)31-18-20-6-2-1-3-7-20/h1-17H,18H2 |
| InChIK | TYUJGNSCNIWVLJ-UHFFFAOYSA-N |
| TotalMolweight | 428.241 |
| Molweight | 428.241 |
| MonoisotopicMass | 428.139531 |
| CLogP | 5.6047 |
| CLogS | -7.455 |
| H Acceptors | 3 |
| TotalSurfaceArea | 332.69 |
| Relative PSA | 0.099312 |
| PolarSurfaceArea | 35.53 |
| Druglikeness | -7.2975 |
| Mutagenic | low |
| Tumorigenic | low |
| Reproductive Effective | none |
| Irritant | low |
| Nasty Functions | unwanted atom |
| Shape Index | 0.59375 |
| Fragments | 1 |
| Non HAtoms | 32 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 8 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 22 |
| Sp3Atoms | 3 |
| Symmetricatoms | 5 |
| StereoCon |
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