| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 23rd, 2004 | 16 | No |
1665-48-1; D00773; Metaxalone (USAN/INN); Skelaxin (TN)
5-((3,5-Dimethylphenoxy)methyl)oxazolidin-2-one
5-(3,5-dimethylphenoxymethyl)-1,3-oxazolidin-2-one
| 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) | 2.30 | 3.13 | -14.37 | 1 | 4 | 0 | 48 | 221.256 | 3 | ↓ |
| Ref Reference (pH 7) | 1.93 | -1.15 | -8.25 | 1 | 4 | 0 | 51 | 221.256 | 3 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| ALOGPS_SOLUBILITY | 1.28e+00 g/l | DrugBank-approved |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| Purity | 95% | Fluorochem |
| Purity | 95+% | Matrix Scientific |
| PUBCHEM_PATENT_ID | EP0475160B1; US4332795; US4369182; US4378354; US4421747; US4528193; US6165500 | IBM Patent Data |
| Warnings | IRRITANT | Matrix Scientific |
| Therapy | muscle relaxant (skeletal) | SMDC Pharmakon |
