Chemical Name - 4-Chloro-3-Methyl-5-Isoxazolamine
Mol Weight - 132.55
Smiles - Cc1noc(N)c1Cl
Mol Weight - 132.55
Smiles - Cc1noc(N)c1Cl
| Property Value | |
| Mol Name | 4-Chloro-3-Methyl-5-Isoxazolamine |
| Molweight | 132.55 |
| Monoisotopic Mass | 132.00904 |
| Clogp | 0.7479 |
| Clogs | -2.418 |
| H Acceptors | 3 |
| H Donors | 1 |
| Total Surface Area | 97.91 |
| Relative Psa | 0.41211 |
| Polar Surface Area | 52.05 |
| Druglikeness | 0.67172 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Shape Index | 0.625 |
| Molecular Complexity | 0.77276 |
| Fragments | 1 |
| Non H Atoms | 8 |
| Non Ch Atoms | 4 |
| Electronegative Atoms | 4 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 5 |
| Sp3 Atoms | 1 |
| Aromatic Nitrogens | 1 |
| Smiles | Cc1noc(N)c1Cl |
| InChIKey | InChI=1S/C4H5ClN2O/c1-2-3(5)4(6)8-7-2/h6H2,1H3 |
| InChI | QMZMMMMDQVQCHL-UHFFFAOYSA-N |
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1 - 4-Chloro-3-Methyl-5-Isoxazolamine
2 - 4-Chloro-3-Methyl-5-Isoxazolamine
1 - 4-Chloro-3-Methyl-5-Isoxazolamine
2 - 4-Chloro-3-Methyl-5-Isoxazolamine
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