Mol Weight - 248.531
Smiles - Clc1nc(ccc(Br)c2)c2s1
InChI - IJQSMNIZBBEBKI-UHFFFAOYSA-N
InChIKey - InChI=1S/C7H3BrClNS/c8-4-1-2-5-6(3-4)11-7(9)10-5/h1-3H
| Property Name | Property Value |
| Mol Name | 6-bromo-2-chloro benzothiazole |
| Molweight | 248.531 |
| Monoisotopic Mass | 246.885807 |
| Clogp | 3.4927 |
| Clogs | -4.022 |
| H Acceptors | 1 |
| Total Surface Area | 136.61 |
| Relative Psa | 0.22934 |
| Polar Surface Area | 41.13 |
| Druglikeness | -2.1955 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Shape Index | 0.63636 |
| Molecular Complexity | 0.72824 |
| Fragments | 1 |
| Non H Atoms | 11 |
| Non Ch Atoms | 4 |
| Electronegative Atoms | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 9 |
| Aromatic Nitrogens | 1 |
| Smiles | Clc1nc(ccc(Br)c2)c2s1 |
| InChIKey | InChI=1S/C7H3BrClNS/c8-4-1-2-5-6(3-4)11-7(9)10-5/h1-3H |
| InChI | IJQSMNIZBBEBKI-UHFFFAOYSA-N |
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1 — 6-bromo-2-chloro benzothiazole | 2 — 6-bromo-2-chloro benzothiazole