| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 24th, 2011 | 22 | No |
Popular Name: N-{2-[4-methyl-5-(trifluoromethyl)-4H-1,2,4-triazol-3-yl]-2-nitrovinyl}aniline N-{2-[4-methyl-5-(trifluoromethy…
Find On: PubMed — Wikipedia — Google
CAS Number: 338402-50-9
None
| 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 |
|---|---|---|---|---|---|---|---|---|---|---|
| Lo Low (pH 4.5-6) | 1.87 | 8.02 | -17.75 | 0 | 7 | 0 | 89 | 313.239 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 1.87 | 7.42 | -9.61 | 0 | 7 | 0 | 89 | 313.239 | 5 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| melting_point | 191 - 193 | KeyOrganics |
No pre-computed analogs available. Try a structural similarity search.