| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 23rd, 2004 | 14 | Yes |
Popular Name: 1-(4-bromophenyl)-2,5-dimethyl-1H-pyrrole 1-(4-bromophenyl)-2,5-dimethyl-1…
Find On: PubMed — Wikipedia — Google
CAS Numbers: 5044-24-6 , [5044-24-6]
| 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) | 3.45 | 1.8 | -3.23 | 0 | 1 | 0 | 4 | 250.139 | 1 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| MP | 61 - 63 | Enamine Building Blocks |
| MP | 61...63 | Enamine Building Blocks |
| melting_point | 7.500000000000000e+001 - 7.700000000000000e+001 | KeyOrganics |
| MP | 74 | TCI |
| melting_point | 75 - 77 | KeyOrganics |
| MP | 75-77° | Matrix Scientific |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| Purity | 95% | Fluorochem |
| Purity | >95% | Matrix Scientific |
| Warnings | IRRITANT | Matrix Scientific |
No pre-computed analogs available. Try a structural similarity search.