| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 19th, 2008 | 16 | Yes |
Popular Name: 1-(2,6-Dichloro-benzyl)-[1,4]diazepane hydrochloride 1-(2,6-Dichloro-benzyl)-[1,4]dia…
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CAS Number: 1353978-93-4
1-(2,6-Dichloro-benzyl)-[1,4]diazepanehydrochloride
| 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) | 2.57 | 5.69 | -27.53 | 2 | 2 | 1 | 16 | 260.188 | 2 | ↓ |
| Lo Low (pH 4.5-6) | 2.57 | 5.1 | -37.61 | 2 | 2 | 1 | 20 | 260.188 | 2 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| PUBCHEM_PATENT_ID | WO1997044334A2 | IBM Patent Data |
