Mol Weight - 305.498
Smiles - Oc(c1ncccc1c(Cl)c1)c1I
| Property Name | Property Value |
| Mol Name | 5-Chloro, 7-Iodo-8-Hydroxyquinoline |
| Molweight | 305.498 |
| Monoisotopic Mass | 304.910439 |
| Clogp | 2.673 |
| Clogs | -3.778 |
| H Acceptors | 2 |
| H Donors | 1 |
| Total Surface Area | 154.67 |
| Relative Psa | 0.15562 |
| Polar Surface Area | 33.12 |
| Druglikeness | -0.64135 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | high |
| Shape Index | 0.53846 |
| Molecular Complexity | 0.74957 |
| Fragments | 1 |
| Non H Atoms | 13 |
| Non Ch Atoms | 4 |
| Electronegative Atoms | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 10 |
| Sp3 Atoms | 1 |
| Aromatic Nitrogens | 1 |
| Smiles | Oc(c1ncccc1c(Cl)c1)c1I |
| InChIKey | InChI=1S/C9H5ClINO/c10-6-4-7(11)9(13)8-5(6)2-1-3-12-8/h1-4,13H |
| InChI | QCDFBFJGMNKBDO-UHFFFAOYSA-N |
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1 — 5-Chloro, 7-Iodo-8-Hydroxyquinoline | 2 — 5-Chloro, 7-Iodo-8-Hydroxyquinoline