| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 9th, 2008 | 16 | Yes |
Popular Name: 6-Chloro-2,3-dihydro-3-oxo-4H-1,4-benzoxazine-4-propionitrile 6-Chloro-2,3-dihydro-3-oxo-4H-1,…
Find On: PubMed — Wikipedia — Google
CAS Number: 351003-20-8
6-Chloro-2,3-dihydro-3-oxo-4H-1,4-benzoxazine-4-propionitrile, 98%
6-Chloro-3-oxo-2,3-dihydro-4H-1,4-benzoxazine-4-propionitrile, 98%
| 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) | 1.34 | 5.41 | -9.39 | 0 | 4 | 0 | 53 | 236.658 | 2 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Melting_Point | 130-132? | Alfa-Aesar |
| Melting_Point | 130-132° | Alfa-Aesar |
No pre-computed analogs available. Try a structural similarity search.