| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 11th, 2004 | 12 | Yes |
Popular Name: 5-Methylisatin 5-Methylisatin
Find On: PubMed — Wikipedia — Google
CAS Numbers: 000608-05-9 , 608-05-9 , [608-05-9]
| 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) | 1.25 | 2.65 | -9.23 | 1 | 3 | 0 | 50 | 161.16 | 0 | ↓ |
| Hi High (pH 8-9.5) | 1.71 | 0.69 | -46.06 | 0 | 3 | -1 | 53 | 160.152 | 0 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| MP | 180 - 184 | Enamine Building Blocks |
| MP | 180° | Matrix Scientific |
| MP | 181 - 183 | Enamine Building Blocks |
| MP | 181...183 | Enamine Building Blocks |
| MP | 188 | TCI |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| Purity | 97% | Fluorochem |
| Purity | 99% | APIChem |
| Melting_Point | ca 180? dec. | Alfa-Aesar |
| Melting_Point | ca 180° dec. | Alfa-Aesar |
| Warnings | IRRITANT | Matrix Scientific |
No pre-computed analogs available. Try a structural similarity search.