| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 18th, 2008 | 12 | Yes |
Popular Name: 7-Chloro-4-methyl-2(3h)-benzothiazolone 7-Chloro-4-methyl-2(3h)-benzothi…
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CAS Number: 80567-63-1
| 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) | 2.85 | 3.96 | -6.98 | 1 | 2 | 0 | 33 | 199.662 | 0 | ↓ |
| Mid Mid (pH 6-8) | 3.31 | 2.04 | -41.48 | 0 | 2 | -1 | 36 | 198.654 | 0 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| PUBCHEM_PATENT_ID | EP0039483A1; US4370483 | IBM Patent Data |
