Mol Weight - 179.606
Smiles - Clc(cc1)ccc1-c1ccno1
| Property Name | Property Value |
| Mol Name | 5-(4-chlorophenyl)isoxazole |
| Molweight | 179.606 |
| Monoisotopic Mass | 179.013791 |
| Clogp | 2.4261 |
| Clogs | -3.227 |
| H Acceptors | 2 |
| Total Surface Area | 136.89 |
| Relative Psa | 0.18321 |
| Polar Surface Area | 26.03 |
| Druglikeness | 0.35726 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Shape Index | 0.66667 |
| Molecular Flexibility | 0.35136 |
| Molecular Complexity | 0.66789 |
| Fragments | 1 |
| Non H Atoms | 12 |
| Non Ch Atoms | 3 |
| Electronegative Atoms | 3 |
| Rotatable Bonds | 1 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Symmetric Atoms | 2 |
| Aromatic Nitrogens | 1 |
| Smiles | Clc(cc1)ccc1-c1ccno1 |
| InChIKey | InChI=1S/C9H6ClNO/c10-8-3-1-7(2-4-8)9-5-6-11-12-9/h1-6H |
| InChI | DLWSAUPFARYKDH-UHFFFAOYSA-N |
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1 — 5-(4-chlorophenyl)isoxazole | 2 — 5-(4-chlorophenyl)isoxazole