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MCULE-3448771548
Compound
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- InChI:
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1
MCULE-8548870154
- Component type: Main
-
1
MCULE-7728164114
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-3448771548.sdf |
| SMILES | MCULE-3448771548.smiles |
| Standard InChI | MCULE-3448771548.inchi |
| InChIKey | MCULE-3448771548.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-489109470 | 97 | As is | in stock |
| P-580417131 | 95 | As is | by resynthesis (? - ? days) |
| P-500384108 | 97 | As is | by synthesis |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 280.748 |
| logP | 3.2297 |
| H-bond acceptors | 4 |
| H-bond donors | 2 |
| Rotatable bonds | 2 |
| PSA | 80.57 |
| RO5 violations | 0 |
| RO3 violations | 3 |
| Refractivity | 68.6011 |
| Atoms | 31 |
| Rings | 2 |
| Heavy atoms | 17 |
| Hydrogen atoms | 14 |
| Heteroatoms | 7 |
| N/O atoms | 4 |
| Inorganic atoms | 0 |
| Halogen atoms | 2 |
| Chiral centers | 1 |
| R/S chiral centers | 0 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 1 |
| Stereo double bonds | 0 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |
