Mol Weight - 238.084
Smiles - COc1ncc(cccc2Br)c2c1
| Property Name | Property Value |
| Mol Name | 5-Bromo-3-methoxyisoquinoline |
| Molweight | 238.084 |
| Monoisotopic Mass | 236.978925 |
| Clogp | 2.8597 |
| Clogs | -3.804 |
| H Acceptors | 2 |
| Total Surface Area | 147.51 |
| Relative Psa | 0.14216 |
| Polar Surface Area | 22.12 |
| Druglikeness | -3.5476 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Shape Index | 0.61538 |
| Molecular Flexibility | 0.16448 |
| Molecular Complexity | 0.70285 |
| Fragments | 1 |
| Non H Atoms | 13 |
| Non Ch Atoms | 3 |
| Electronegative Atoms | 3 |
| Rotatable Bonds | 1 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 10 |
| Sp3 Atoms | 2 |
| Aromatic Nitrogens | 1 |
| Smiles | COc1ncc(cccc2Br)c2c1 |
| InChIKey | InChI=1S/C10H8BrNO/c1-13-10-5-8-7(6-12-10)3-2-4-9(8)11/h2-6H,1H3 |
| InChI | AQOJBAYGTPZJAY-UHFFFAOYSA-N |
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1 — 5-Bromo-3-methoxyisoquinoline | 2 — 5-Bromo-3-methoxyisoquinoline