| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 4th, 2010 | 13 | Yes |
Popular Name: MFCD13561703 MFCD13561703
Find On: PubMed — Wikipedia — Google
CAS Numbers: 1219981-51-7 , N/A
1-(3-Pyrrolidinylmethyl)azepane dihydrochloride
1-(3-pyrrolidinylmethyl)azepanedihydrochloride
| 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) | 2.04 | 6.06 | -96.97 | 3 | 2 | 2 | 21 | 184.327 | 2 | ↓ |
| Hi High (pH 8-9.5) | 2.04 | 4.6 | -32.52 | 2 | 2 | 1 | 16 | 183.319 | 2 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Warnings | IRRITANT | Matrix Scientific |
