| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 18th, 2011 | 14 | No |
Popular Name: 4-Chloro-5-fluoro-3-iodo-1H-pyrrolo[2,3-b]pyridine-6-carbaldehyde 4-Chloro-5-fluoro-3-iodo-1H-pyrr…
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CAS Number: 1305324-96-2
4-Chloro-5-fluoro-3-iodo-1H-pyrrolo-[2,3-b]pyridine-6-carbaldehyde
| 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) | 3.22 | 5.02 | -8.87 | 1 | 3 | 0 | 46 | 324.48 | 1 | ↓ |
| Hi High (pH 8-9.5) | 3.22 | 4.53 | -31.38 | 0 | 3 | -1 | 44 | 323.472 | 1 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Warnings | IRRITANT | Matrix Scientific |
No pre-computed analogs available. Try a structural similarity search.
![1H-pyrrolo[2,3-b]pyridine](http://zinc12.docking.org/img/rings/14010.gif)