| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 14th, 2008 | 13 | No |
Popular Name: 5-nitro-2-(2-propynylsulfanyl)pyridine 5-nitro-2-(2-propynylsulfanyl)py…
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CAS Number: 77867-13-1
| 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) | 1.92 | 5.94 | -5.94 | 0 | 4 | 0 | 59 | 194.215 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 1.92 | 6.21 | -38.28 | 1 | 4 | 1 | 60 | 195.223 | 3 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| melting_point | 102 - 104 | KeyOrganics |
| MP | 102-104° | Matrix Scientific |
| Purity | >95% | Matrix Scientific |
| Warnings | IRRITANT | Matrix Scientific |
