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MCULE-9486926017
Compound
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- InChIKey:
- SMILES:
- InChI:
- Formula:
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1
MCULE-7276289307
- Component type: Main
-
1
MCULE-6152801555
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-9486926017.sdf |
| SMILES | MCULE-9486926017.smiles |
| Standard InChI | MCULE-9486926017.inchi |
| InChIKey | MCULE-9486926017.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-580451988 | 98 | As is | in stock |
| P-33255149 | 90 | As is | in stock |
| P-580416518 | 95 | Main component | by resynthesis (? - ? days) |
| P-500399841 | 98 | Main component | by synthesis |
| P-906773311 | 99 | Main component | by synthesis |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 310.133 |
| logP | -0.8504 |
| H-bond acceptors | 2 |
| H-bond donors | 1 |
| Rotatable bonds | 0 |
| PSA | 19.67 |
| RO5 violations | 0 |
| RO3 violations | 1 |
| Refractivity | 74.5277 |
| Atoms | 26 |
| Rings | 3 |
| Heavy atoms | 15 |
| Hydrogen atoms | 11 |
| Heteroatoms | 3 |
| N/O atoms | 2 |
| Inorganic atoms | 0 |
| Halogen atoms | 1 |
| Chiral centers | 0 |
| R/S chiral centers | 0 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 0 |
| Stereo double bonds | 0 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |
