| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 7th, 2004 | 8 | No |
Popular Name: 1-Nitropentane 1-Nitropentane
Find On: PubMed — Wikipedia — Google
CAS Number: 628-05-7
1-Nitropentane; CCRIS 5042; EINECS 211-025-3; LS-188184; NSC 3645; Pentane, 1-nitro- (8CI)
| 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 | 1.47 | -4.56 | 0 | 3 | 0 | 45 | 117.148 | 4 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| PUBCHEM_PATENT_ID | US6066732; WO2000011004A1 | IBM Patent Data |
No pre-computed analogs available. Try a structural similarity search.