| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 21st, 2008 | 6 | Yes |
Popular Name: 3-Pentenenitrile 3-Pentenenitrile
Find On: PubMed — Wikipedia — Google
CAS Number: 4635-87-4
| 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) | 0.67 | 3.99 | -5.68 | 0 | 1 | 0 | 24 | 81.118 | 1 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| PUBCHEM_PATENT_ID | EP0863877A1; EP0923734A1; EP0977989A1; US5840500; US5874443; US5916899; US5925527; US6127381; US6143895; WO1997016428A1; WO1998002741A1; WO1998034111A1; WO1998034115A1; WO1999055679A1; WO2000025768A1; WO2000045635A1; WO2000050406A1 | IBM Patent Data |
No pre-computed analogs available. Try a structural similarity search.