| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 15th, 2005 | 14 | Yes |
Popular Name: 3-oxo-3,4-dihydro-2H-1,4-benzoxazine-6-carboxylic acid 3-oxo-3,4-dihydro-2H-1,4-benzoxa…
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CAS Numbers: 134997-87-8 , N/A , [134997-87-8]
2H-1,4-Benzoxazine-6-carboxylic acid, 3,4-dihydro-3-oxo-
3-oxo-3,4-dihydro-2H-1,4-benzoxazine-6-carboxylicacid
3-Oxo-3,4-dihydro-2H-benzo[1,4]oxazine-6-carboxylic acid
| 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) | 0.87 | 1.35 | -47.38 | 1 | 5 | -1 | 78 | 192.15 | 1 | ↓ |
| Hi High (pH 8-9.5) | 3.30 | 8.22 | -41.98 | 2 | 5 | 1 | 55 | 344.479 | 6 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| MP | 228 - 230 | Enamine Building Blocks |
| MP | 228...230 | Enamine Building Blocks |
| MP | 229 - 230 | Enamine Building Blocks |
| MP | 230 - 230 | Enamine Building Blocks |
| MP | 230 - 232 | Enamine Building Blocks |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| Purity | 97% | Fluorochem |
| Warnings | IRRITANT | Matrix Scientific |
No pre-computed analogs available. Try a structural similarity search.