| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 25th, 2007 | 16 | No |
Popular Name: 5-(naphthalen-2-yl)-1,3,4-oxadiazole-2-thiol 5-(naphthalen-2-yl)-1,3,4-oxadia…
Find On: PubMed — Wikipedia — Google
CAS Number: 198780-60-8
| 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) | 3.51 | 3.21 | -42.71 | 0 | 3 | -1 | 39 | 227.268 | 1 | ↓ |
| Lo Low (pH 4.5-6) | 2.78 | 3.75 | -7.94 | 1 | 3 | 0 | 42 | 228.276 | 1 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| MP | 226 - 228 | Enamine Building Blocks |
| MP | 226...228 | Enamine Building Blocks |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| PUBCHEM_PATENT_ID | US6063800; US6080770 | IBM Patent Data |
