| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 27th, 2004 | 13 | No |
Popular Name: 1-(3-Nitrophenyl)acetone 1-(3-Nitrophenyl)acetone
Find On: PubMed — Wikipedia — Google
CAS Numbers: , 17408-16-1 , 39896-32-7
| 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) | 1.60 | 6.53 | -12.32 | 0 | 4 | 0 | 63 | 179.175 | 3 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| MP | 62-65° | Matrix Scientific |
| Warnings | IRRITANT | Matrix Scientific |
No pre-computed analogs available. Try a structural similarity search.