| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 10th, 2009 | 15 | No |
Popular Name: (S)-3-(4-Nitrophenoxy)pyrrolidine hydrochloride (S)-3-(4-Nitrophenoxy)pyrrolidin…
Find On: PubMed — Wikipedia — Google
CAS Numbers: 1187930-72-8 , 1187930-80-8 , 1286207-30-4 , [1187930-80-8]
3-(4'-NITROPHENOXY)PYRROLIDINE HCL
3-(4-Nitrophenoxy)pyrrolidine 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) | 1.86 | 4.95 | -50.88 | 2 | 5 | 1 | 72 | 209.225 | 3 | ↓ |
| Hi High (pH 8-9.5) | 1.86 | 3.49 | -6.59 | 1 | 5 | 0 | 67 | 208.217 | 3 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Purity | 95% | Fluorochem |
| Warnings | IRRITANT | Matrix Scientific |
| PUBCHEM_PATENT_ID | WO1998058934A1 | IBM Patent Data |
No pre-computed analogs available. Try a structural similarity search.
