| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 12th, 2008 | 23 | Yes |
Popular Name: 2,3,3-Trimethyl-1-(3-sulfopropyl)-3H-indol-1-ium-5-sulfonate 2,3,3-Trimethyl-1-(3-sulfopropyl…
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CAS Numbers: 427882-78-8 , 76578-90-0
1-(3-Sulfonatopropyl)-2,3,3-trimethyl-3h-indolium-5-sulfonate
2,3,3-Trimethyl-1-(3-sulfonatopropyl)-indolinium-5-sulfonicAcid,PotassiumSalt
| 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) | -5.21 | 1.61 | -90.25 | 0 | 7 | -1 | 117 | 360.433 | 5 | ↓ |
| Hi High (pH 8-9.5) | -5.87 | 1.53 | -92.5 | 0 | 7 | -2 | 117 | 359.425 | 5 | ↓ |
