| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 6th, 2005 | 19 | Yes |
Popular Name: 3-(3-Trifluoromethyl-benzenesulfonylamino)-propionic acid 3-(3-Trifluoromethyl-benzenesulf…
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CAS Number: 612042-13-4
3-[3-(trifluoromethyl)benzenesulfonamido]propanoic 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) | 1.39 | -2.8 | -46.51 | 1 | 5 | -1 | 86 | 296.246 | 6 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| MP | 113 - 115 | Enamine Building Blocks |
| Melting_Point | 113-115? | Alfa-Aesar |
| Melting_Point | 113-115° | Alfa-Aesar |
| MP | 113...115 | Enamine Building Blocks |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
No pre-computed analogs available. Try a structural similarity search.