| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 23rd, 2011 | 21 | Yes |
Popular Name: 7-{[(3-Fluorobenzyl)oxy]methyl}-2,3,4,5-tetrahydro-1,4-benzoxazepine hydrochloride 7-{[(3-Fluorobenzyl)oxy]methyl}-…
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CAS Numbers: , 1332531-68-6
1,4-benzoxazepine, 7-[[(3-fluorophenyl)methoxy]methyl]-2,3,4,5-tetrahydro-, hydrochloride
| 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) | 3.03 | 7.15 | -44.01 | 2 | 3 | 1 | 35 | 288.342 | 4 | ↓ |
| Hi High (pH 8-9.5) | 3.03 | 5.9 | -7.76 | 1 | 3 | 0 | 30 | 287.334 | 4 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Purity | 95% | Fluorochem |
| Warnings | IRRITANT | Matrix Scientific |
No pre-computed analogs available. Try a structural similarity search.
