Mol Weight - 193.633
Smiles - COc1c2c(Cl)nccc2ccc1
| Property Name | Property Value |
| Mol Name | 1-Chloro-8-methoxyisoquinoline |
| Molweight | 193.633 |
| Monoisotopic Mass | 193.029441 |
| Clogp | 2.4865 |
| Clogs | -2.944 |
| H Acceptors | 2 |
| Total Surface Area | 144.3 |
| Relative Psa | 0.14532 |
| Polar Surface Area | 22.12 |
| Druglikeness | -1.5976 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Shape Index | 0.53846 |
| Molecular Flexibility | 0.16448 |
| Molecular Complexity | 0.70997 |
| 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 | COc1c2c(Cl)nccc2ccc1 |
| InChIKey | InChI=1S/C10H8ClNO/c1-13-8-4-2-3-7-5-6-12-10(11)9(7)8/h2-6H,1H3 |
| InChI | VWDQQTNERKDLQH-UHFFFAOYSA-N |
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1 — 1-Chloro-8-methoxyisoquinoline | 2 — 1-Chloro-8-methoxyisoquinoline