Mol Weight - 209.176
Smiles - OC(C(C1)ON=C1c(cccc1)c1F)=O
| Property Name | Property Value |
| Mol Name | 3-(2-fluorophenyl)-4,5-dihydroisoxazole-5-carboxylicacid |
| Molweight | 209.176 |
| Monoisotopic Mass | 209.048822 |
| Clogp | 1.7589 |
| Clogs | -2.962 |
| H Acceptors | 4 |
| H Donors | 1 |
| Total Surface Area | 149.44 |
| Relative Psa | 0.31886 |
| Polar Surface Area | 58.89 |
| Druglikeness | -1.819 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Shape Index | 0.6 |
| Molecular Flexibility | 0.42008 |
| Molecular Complexity | 0.72942 |
| Fragments | 1 |
| Non H Atoms | 15 |
| Non Ch Atoms | 5 |
| Electronegative Atoms | 5 |
| Stereo Centers | 1 |
| Rotatable Bonds | 2 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3 Atoms | 4 |
| Acidic Oxygens | 1 |
| Smiles | OC(C(C1)ON=C1c(cccc1)c1F)=O |
| InChIKey | InChI=1S/C10H8FNO3/c11-7-4-2-1-3-6(7)8-5-9(10(13)14)15-12-8/h1-4,9H,5H2,(H,13,14) |
| InChI | DAYPQGQLFQVFPV-UHFFFAOYSA-N |
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1 — 3-(2-fluorophenyl)-4,5-dihydroisoxazole-5-carboxylicacid | 2 — 3-(2-fluorophenyl)-4,5-dihydroisoxazole-5-carboxylicacid