| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 27th, 2004 | 10 | Yes |
Popular Name: 4-Hydroxybenzotriazole 4-Hydroxybenzotriazole
Find On: PubMed — Wikipedia — Google
CAS Numbers: 2592-95-2 , 26725-51-9 , [26725-51-9]
| 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) | 1.02 | -1.07 | -8.31 | 2 | 4 | 0 | 62 | 135.126 | 0 | ↓ |
| Mid Mid (pH 6-8) | 1.02 | 0.79 | -37.58 | 1 | 4 | -1 | 65 | 134.118 | 0 | ↓ |
| Mid Mid (pH 6-8) | 1.02 | -1.19 | -9.98 | 2 | 4 | 0 | 62 | 135.126 | 0 | ↓ |
| Mid Mid (pH 6-8) | 1.02 | -1.1 | -8.6 | 2 | 4 | 0 | 62 | 135.126 | 0 | ↓ |
| Lo Low (pH 4.5-6) | 0.35 | 0.92 | -19.52 | 1 | 4 | 0 | 59 | 135.126 | 0 | ↓ |
| Lo Low (pH 4.5-6) | 0.35 | 1.02 | -9.76 | 1 | 4 | 0 | 59 | 135.126 | 0 | ↓ |
| Lo Low (pH 4.5-6) | 0.35 | 0.97 | -12.1 | 1 | 4 | 0 | 59 | 135.126 | 0 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Melting_Point | 221-223? | Alfa-Aesar |
| Melting_Point | 221-223° | Alfa-Aesar |
| PUBCHEM_PATENT_ID | US4716234; WO1990011291A1 | IBM Patent Data |
| PUBCHEM_PATENT_ID | US5380875 | IBM Patent Data |
