In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
January 30th, 2006 | 25 | Yes |
Popular Name: 3-[3-(benzotriazol-2-yl)-5-tert-butyl-4-hydroxyphenyl]propanoic acid 3-[3-(benzotriazol-2-yl)-5-tert-…
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CAS Number: 84268-36-0
3-(3-(2H-Benzo[d][1,2,3]triazol-2-yl)-5-(tert-butyl)-4-hydroxyphenyl)propanoic acid
3-(3-(2H-Benzo[d][1,2,3]triazol-2-yl)-5-(tert-butyl)-4-hydroxyphenyl)propanoicacid
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) | 4.34 | 8.88 | -52.2 | 1 | 6 | -1 | 91 | 338.387 | 5 | ↓ |
Lo Low (pH 4.5-6) | 4.34 | 6.9 | -13.6 | 2 | 6 | 0 | 88 | 339.395 | 5 | ↓ |
Note Type | Comments | Provided By |
---|---|---|
Warnings | IRRITANT | Matrix Scientific |