| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 11th, 2004 | 12 | Yes |
Popular Name: 7-Methyl-1H-indole-2,3-dione 7-Methyl-1H-indole-2,3-dione
Find On: PubMed — Wikipedia — Google
CAS Numbers: 1127-59-9 , [1127-59-9]
| 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) | 1.23 | 2.66 | -9.06 | 1 | 3 | 0 | 50 | 161.16 | 0 | ↓ |
| Hi High (pH 8-9.5) | 1.69 | 0.7 | -46.98 | 0 | 3 | -1 | 53 | 160.152 | 0 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| MP | 175 - 177 | Enamine Building Blocks |
| MP | 175...177 | Enamine Building Blocks |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| Purity | 95% | Fluorochem |
| Warnings | IRRITANT | Matrix Scientific |
No pre-computed analogs available. Try a structural similarity search.