| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 16th, 2004 | 21 | No |
Popular Name: 3-chloro-5-(trifluoromethyl)-2-pyridinyl 3-nitro-2-pyridinyl sulfide 3-chloro-5-(trifluoromethyl)-2-p…
Find On: PubMed — Wikipedia — Google
CAS Number: 338406-84-1
| 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) | 3.85 | 2.9 | -9.41 | 0 | 5 | 0 | 71 | 335.694 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 3.85 | 2.81 | -35.85 | 1 | 5 | 1 | 72 | 336.702 | 4 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| melting_point | 116 - 118 | KeyOrganics |
No pre-computed analogs available. Try a structural similarity search.
