Mol Weight - 166.007
Smiles - Cc1c(C(Cl)Cl)onc1
| Property Name | Property Value |
| Mol Name | 5-(dichloromethyl)-4-methylisoxazole |
| Molweight | 166.007 |
| Monoisotopic Mass | 164.974818 |
| Clogp | 1.4406 |
| Clogs | -2.28 |
| H Acceptors | 2 |
| Total Surface Area | 117.31 |
| Relative Psa | 0.21379 |
| Polar Surface Area | 26.03 |
| Druglikeness | 0.18192 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | high |
| Shape Index | 0.55556 |
| Molecular Flexibility | 0.36864 |
| Molecular Complexity | 0.80472 |
| Fragments | 1 |
| Non H Atoms | 9 |
| Non Ch Atoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bonds | 1 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 5 |
| Sp3 Atoms | 2 |
| Symmetric Atoms | 1 |
| Aromatic Nitrogens | 1 |
| Smiles | Cc1c(C(Cl)Cl)onc1 |
| InChIKey | InChI=1S/C5H5Cl2NO/c1-3-2-8-9-4(3)5(6)7/h2,5H,1H3 |
| InChI | OFXZZVTWDNVZER-UHFFFAOYSA-N |
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1 — 5-(dichloromethyl)-4-methylisoxazole | 2 — 5-(dichloromethyl)-4-methylisoxazole