Chemical Name - 4-((4-fluorophenoxy)methyl)-5-methylisoxazole-3-carboxylicacid
Mol Weight - 251.212
Smiles - Cc1c(COc(cc2)ccc2F)c(C(O)=O)no1
Mol Weight - 251.212
Smiles - Cc1c(COc(cc2)ccc2F)c(C(O)=O)no1
| Property Value | |
| Mol Name | 4-((4-fluorophenoxy)methyl)-5-methylisoxazole-3-carboxylicacid |
| Molweight | 251.212 |
| Monoisotopic Mass | 251.059387 |
| Clogp | 1.4558 |
| Clogs | -2.773 |
| H Acceptors | 5 |
| H Donors | 1 |
| Total Surface Area | 187.94 |
| Relative Psa | 0.32574 |
| Polar Surface Area | 72.56 |
| Druglikeness | -1.4598 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Shape Index | 0.61111 |
| Molecular Flexibility | 0.47561 |
| Molecular Complexity | 0.71096 |
| Fragments | 1 |
| Non H Atoms | 18 |
| Non Ch Atoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bonds | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3 Atoms | 4 |
| Symmetric Atoms | 2 |
| Aromatic Nitrogens | 1 |
| Acidic Oxygens | 1 |
| Smiles | Cc1c(COc(cc2)ccc2F)c(C(O)=O)no1 |
| InChIKey | InChI=1S/C12H10FNO4/c1-7-10(11(12(15)16)14-18-7)6-17-9-4-2-8(13)3-5-9/h2-5H,6H2,1H3,(H,15,16) |
| InChI | LZGUJDYMYQPFEI-UHFFFAOYSA-N |
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