| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 9th, 2005 | 13 | No |
Popular Name: 6-Nitrobenzo[d]thiazol-2(3H)-one 6-Nitrobenzo[d]thiazol-2(3H)-one
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CAS Numbers: 28620-12-4 , [28620-12-4]
None
| 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) | 2.21 | 2.29 | -28.71 | 0 | 5 | -1 | 82 | 195.179 | 1 | ↓ |
| Mid Mid (pH 6-8) | 1.75 | 3.38 | -10.1 | 1 | 5 | 0 | 79 | 196.187 | 1 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Purity | 95% | Fluorochem |
No pre-computed analogs available. Try a structural similarity search.