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MCULE-7036634246
Compound
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- InChI:
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1
MCULE-5745923504
- Component type: Main
-
1
MCULE-6124492894
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-7036634246.sdf |
| SMILES | MCULE-7036634246.smiles |
| Standard InChI | MCULE-7036634246.inchi |
| InChIKey | MCULE-7036634246.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-1275259962 | 98 | As is | in stock |
| P-580433288 | 95 | As is | by resynthesis (? - ? days) |
| P-580433293 | 95 | Main component | by resynthesis (? - ? days) |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 260.127 |
| logP | 2.5722 |
| H-bond acceptors | 3 |
| H-bond donors | 3 |
| Rotatable bonds | 0 |
| PSA | 66.48 |
| RO5 violations | 0 |
| RO3 violations | 1 |
| Refractivity | 60.6664 |
| Atoms | 28 |
| Rings | 2 |
| Heavy atoms | 14 |
| Hydrogen atoms | 14 |
| Heteroatoms | 4 |
| N/O atoms | 3 |
| Inorganic atoms | 0 |
| Halogen atoms | 1 |
| 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 |
