| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 3rd, 2005 | 19 | Yes |
Popular Name: (4-Allyl-5-phenyl-4 H -[1,2,4]triazol-3-ylsulfanyl)-acetic acid (4-Allyl-5-phenyl-4 H -[1,2,4]tr…
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CAS Numbers: 18204-57-4 , [18204-57-4] , [182054-69-9]
(4-Allyl-5-phenyl-4 H -[1,2,4]triazol-3-ylsulfanyl
(4-Allyl-5-phenyl-4H-[1,2,4]triazol-3-ylsulfanyl)-acetic acid
2-(4-allyl-5-phenyl-4H-1,2,4-triazol-3-ylsulfanyl)acetic acid
2-(Hydroxymethyl)nicotinonitrile
ALLYLPHENYLTRIAZOLYLTHIOACETICACI
[(4-Allyl-5-phenyl-4H-1,2,4-triazol-3-yl)thio]-acetic acid
| 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) | 2.38 | 9.32 | -49.24 | 0 | 5 | -1 | 71 | 274.325 | 6 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Warnings | IRRITANT | Matrix Scientific |
