Mol Weight - 235.213
Smiles - CCOC(c1noc(-c(cc2)ccc2F)c1)=O
| Property Name | Property Value |
| Mol Name | ethyl5-(4-fluorophenyl)isoxazole-3-carboxylate |
| Molweight | 235.213 |
| Monoisotopic Mass | 235.064472 |
| Clogp | 2.2942 |
| Clogs | -3.27 |
| H Acceptors | 4 |
| Total Surface Area | 181.59 |
| Relative Psa | 0.26499 |
| Polar Surface Area | 52.33 |
| Druglikeness | -3.3534 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Shape Index | 0.70588 |
| Molecular Flexibility | 0.38447 |
| Molecular Complexity | 0.7177 |
| Fragments | 1 |
| Non H Atoms | 17 |
| Non Ch Atoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bonds | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3 Atoms | 3 |
| Symmetric Atoms | 2 |
| Aromatic Nitrogens | 1 |
| Smiles | CCOC(c1noc(-c(cc2)ccc2F)c1)=O |
| InChIKey | InChI=1S/C12H10FNO3/c1-2-16-12(15)10-7-11(17-14-10)8-3-5-9(13)6-4-8/h3-7H,2H2,1H3 |
| InChI | IYDBYHCVVNAFSM-UHFFFAOYSA-N |
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1 — ethyl5-(4-fluorophenyl)isoxazole-3-carboxylate | 2 — ethyl5-(4-fluorophenyl)isoxazole-3-carboxylate