| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 20th, 2008 | 9 | Yes |
Popular Name: Isothiazole-5-carboxylic acid methyl ester Isothiazole-5-carboxylic acid me…
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CAS Number: 15901-66-3
| 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) | 1.14 | 2.68 | -5.25 | 0 | 3 | 0 | 39 | 143.167 | 2 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Purity | 97% | Fluorochem |
No pre-computed analogs available. Try a structural similarity search.