| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 15th, 2005 | 12 | No |
Popular Name: 2-(3-Chlorophenyl)malondialdehyde 2-(3-Chlorophenyl)malondialdehyde
Find On: PubMed — Wikipedia — Google
CAS Numbers: 6299-85-0 , 74963-16-9 , [74963-16-9]
| 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) | 1.67 | 5.06 | -34.08 | 0 | 2 | -1 | 40 | 181.598 | 2 | ↓ |
| Ref Reference (pH 7) | 1.67 | 5.07 | -32.77 | 0 | 2 | -1 | 40 | 181.598 | 2 | ↓ |
| Mid Mid (pH 6-8) | 2.68 | 4.16 | -8.77 | 0 | 2 | 0 | 34 | 182.606 | 3 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| MP | 107-109° | Matrix Scientific |
| melting_point | 125 - 127 | KeyOrganics |
| Purity | 95%+ | Fluorochem |
| Warnings | IRRITANT | Matrix Scientific |
No pre-computed analogs available. Try a structural similarity search.