| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 25th, 2007 | 18 | No |
Popular Name: 4-(3-nitro-2-pyridinyl)benzenecarboxylic acid 4-(3-nitro-2-pyridinyl)benzeneca…
Find On: PubMed — Wikipedia — Google
CAS Numbers: 847446-89-3 , [847446-89-3]
| 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) | 2.41 | 0.87 | -57.42 | 0 | 6 | -1 | 98 | 243.198 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 2.41 | 0.98 | -82.31 | 1 | 6 | 0 | 100 | 244.206 | 3 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| melting_point | 2.370000000000000e+002 - 2.390000000000000e+002 | KeyOrganics |
| melting_point | 237 - 239 | KeyOrganics |
| MP | 237-239° | Matrix Scientific |
| Purity | >95% | Matrix Scientific |
| Warnings | IRRITANT | Matrix Scientific |
No pre-computed analogs available. Try a structural similarity search.