| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 16th, 2008 | 9 | Yes |
Popular Name: 5-tert-butyl-1H-tetrazole 5-tert-butyl-1H-tetrazole
Find On: PubMed — Wikipedia — Google
CAS Number: 92712-46-4
| 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) | 1.06 | 1.53 | -38.11 | 0 | 4 | -1 | 53 | 125.155 | 1 | ↓ |
| Lo Low (pH 4.5-6) | 1.06 | 1.55 | -7.08 | 1 | 4 | 0 | 54 | 126.163 | 1 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| MP | 203 - 205 | Enamine Building Blocks |
| MP | 203...205 | Enamine Building Blocks |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| PUBCHEM_PATENT_ID | WO1995034540A1 | IBM Patent Data |
No pre-computed analogs available. Try a structural similarity search.