Chemical Name - 4-chloro-3-(chloromethyl)-5-methylisoxazole
Mol Weight - 166.007
Smiles - Cc(onc1CCl)c1Cl
Mol Weight - 166.007
Smiles - Cc(onc1CCl)c1Cl
| Property Value | |
| Mol Name | 4-chloro-3-(chloromethyl)-5-methylisoxazole |
| Molweight | 166.007 |
| Monoisotopic Mass | 164.974818 |
| Clogp | 1.6619 |
| Clogs | -2.959 |
| H Acceptors | 2 |
| Total Surface Area | 118.57 |
| Relative Psa | 0.21152 |
| Polar Surface Area | 26.03 |
| Druglikeness | -1.0259 |
| Mutagenic | low |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | none |
| Shape Index | 0.66667 |
| Molecular Flexibility | 0.29922 |
| Molecular Complexity | 0.81452 |
| 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 |
| Aromatic Nitrogens | 1 |
| Smiles | Cc(onc1CCl)c1Cl |
| InChIKey | InChI=1S/C5H5Cl2NO/c1-3-5(7)4(2-6)8-9-3/h2H2,1H3 |
| InChI | HSCZDNASNDFAGL-UHFFFAOYSA-N |
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1 - 4-chloro-3-(chloromethyl)-5-methylisoxazole
2 - 4-chloro-3-(chloromethyl)-5-methylisoxazole
1 - 4-chloro-3-(chloromethyl)-5-methylisoxazole
2 - 4-chloro-3-(chloromethyl)-5-methylisoxazole
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