| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 4th, 2009 | 14 | No |
Popular Name: 2-chloro-3-oxo-N-phenylbutanamide 2-chloro-3-oxo-N-phenylbutanamide
Find On: PubMed — Wikipedia — Google
CAS Numbers: 31844-92-5 , [31844-92-5]
| 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) | 1.28 | 3.9 | -35.37 | 1 | 3 | -1 | 52 | 210.64 | 3 | ↓ |
| Mid Mid (pH 6-8) | 1.25 | 4.57 | -14.3 | 1 | 3 | 0 | 46 | 211.648 | 3 | ↓ |
| Mid Mid (pH 6-8) | 1.25 | 4.47 | -7.81 | 1 | 3 | 0 | 46 | 211.648 | 3 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| MP | 101 - 104 | Enamine Building Blocks |
| MP | 101...104 | Enamine Building Blocks |
| melting_point | 141 - 142 | KeyOrganics |
| MP | 141-142° | Matrix Scientific |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| Purity | >95% | Matrix Scientific |
| Warnings | IRRITANT | Matrix Scientific |
No pre-computed analogs available. Try a structural similarity search.