| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 1st, 2012 | 7 | Yes |
Popular Name: Methyl cyclohexadiene Methyl cyclohexadiene
Find On: PubMed — Wikipedia — Google
CAS Number: 30640-46-1
| 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) | 1.75 | 5.18 | -1.05 | 0 | 0 | 0 | 0 | 94.157 | 0 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| PUBCHEM_PATENT_ID | EP0395583A2; EP0395583B1; US5070169; US5070170 | IBM Patent Data |
| PUBCHEM_PATENT_ID | US4258184 | IBM Patent Data |
No pre-computed analogs available. Try a structural similarity search.