| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 5th, 2006 | 11 | Yes |
Popular Name: 3-Cyano-1H-indazole 3-Cyano-1H-indazole
Find On: PubMed — Wikipedia — Google
CAS Numbers: 50264-88-5 , [50264-88-5]
| 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) | 1.62 | 3.5 | -5.98 | 1 | 3 | 0 | 52 | 143.149 | 0 | ↓ |
| Ref Reference (pH 7) | 1.62 | 3.64 | -5.68 | 1 | 3 | 0 | 52 | 143.149 | 0 | ↓ |
| Hi High (pH 8-9.5) | 1.62 | 3.49 | -32.24 | 0 | 3 | -1 | 51 | 142.141 | 0 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| MP | 136 - 138 | Enamine Building Blocks |
| MP | 136...138 | Enamine Building Blocks |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| Purity | 95% | Fluorochem |
| Purity | 95+% | Matrix Scientific |
| PUBCHEM_PATENT_ID | EP0198438A2; EP0220746A2; EP0220746B1; EP0328020A2; EP0328020B1; EP0328200A1; EP0328200B1; EP0337547A1; EP0337547B1; EP0393721A2; EP0393721B1; EP0458502A2; EP0458502A3; EP0553887A2; EP0553887A3; EP0713131A3; EP0713131B1; EP0934311A2; EP1037106A1; US474045 | IBM Patent Data |
| PUBCHEM_PATENT_ID | EP0276842A2; EP0276842B1; EP0736798A1; US4828973; US4859579; US4877723; US4987052; US5035993; US5338658; US5667936; US5968725 | IBM Patent Data |
| Warnings | IRRITANT | Matrix Scientific |
| PUBCHEM_PATENT_ID | US4950764 | IBM Patent Data |
