Mol Weight - 202.256
Smiles - C(CNCC1)C1c1noc2c1cccc2
| Property Name | Property Value |
| Mol Name | 3-(piperidin-4-yl)benzo[d]isoxazole |
| Molweight | 202.256 |
| Monoisotopic Mass | 202.110613 |
| Clogp | 2.2701 |
| Clogs | -2.98 |
| H Acceptors | 3 |
| H Donors | 1 |
| Total Surface Area | 161.81 |
| Relative Psa | 0.22582 |
| Polar Surface Area | 38.06 |
| Druglikeness | 1.919 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Shape Index | 0.6 |
| Molecular Flexibility | 0.22302 |
| Molecular Complexity | 0.71956 |
| Fragments | 1 |
| Non H Atoms | 15 |
| Non Ch Atoms | 3 |
| Electronegative Atoms | 3 |
| Rotatable Bonds | 1 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 9 |
| Sp3 Atoms | 6 |
| Symmetric Atoms | 2 |
| Amines | 1 |
| Alkyl Amines | 1 |
| Aromatic Nitrogens | 1 |
| Basic Nitrogens | 1 |
| Smiles | C(CNCC1)C1c1noc2c1cccc2 |
| InChIKey | InChI=1S/C12H14N2O/c1-2-4-11-10(3-1)12(14-15-11)9-5-7-13-8-6-9/h1-4,9,13H,5-8H2 |
| InChI | KEIQPPQTKPFHLZ-UHFFFAOYSA-N |
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1 — 3-(piperidin-4-yl)benzo[d]isoxazole | 2 — 3-(piperidin-4-yl)benzo[d]isoxazole