| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 23rd, 2004 | 13 | No |
Popular Name: 2-Chloro-6-nitrobenzothiazole 2-Chloro-6-nitrobenzothiazole
Find On: PubMed — Wikipedia — Google
CAS Numbers: 06/11/07 , 11/6/2407 12:00:00 AM , 2407-11-6 , on cas , [2407-11-6]
2-Chloro-6-nitro-1,3-benzothiazole
2-Chloro-6-nitro-benzothiazole
2-Chloro-6-nitrobenzo thiazole
2-Chloro-6-nitrobenzothiazole, 95%
| Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
|---|---|---|---|---|---|---|---|---|---|---|
| Ref Reference (pH 7) | 3.11 | -0.35 | -4.7 | 0 | 4 | 0 | 58 | 214.633 | 1 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Melting_Point | 185-189? | Alfa-Aesar |
| melting_point | 192 - 195 | KeyOrganics |
| MP | 192 ° | Matrix Scientific |
| MP | 192-195° | Matrix Scientific |
| Purity | 96+% | Matrix Scientific |
| Purity | 97% | Fluorochem |
| Purity | >95% | Matrix Scientific |
| Warnings | IRRITANT | Matrix Scientific |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50467-3-O | Trichomonas Vaginalis (cluster #3 Of 3), Other | Other | 2000 | 0.61 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50467 | Z50467 | Trichomonas Vaginalis | 2000 | 0.61 | Functional ≤ 10μM |
No pre-computed analogs available. Try a structural similarity search.