| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 16th, 2004 | 27 | Yes |
Popular Name: methyl 2-{4-[4-(tert-butyl)benzoyl]-3,4-dihydro-2H-1,4-benzoxazin-3-yl}acetate methyl 2-{4-[4-(tert-butyl)benzo…
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CAS Number: 861209-29-2
| 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) | 4.46 | 10.47 | -14.7 | 0 | 5 | 0 | 56 | 367.445 | 5 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| melting_point | 99 - 101 | KeyOrganics |
No pre-computed analogs available. Try a structural similarity search.
