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MCULE-1570107439-0
Structure
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- InChI:
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1
MCULE-9101127351-0
- Component type: Main
-
1
MCULE-1176533515-1
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-1570107439-0.sdf |
| SMILES | MCULE-1570107439-0.smiles |
| Standard InChI | MCULE-1570107439-0.inchi |
| InChIKey | MCULE-1570107439-0.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-894007938 | eNovation Chemicals LLC | Building Blocks in stock | 95 | Main component as a main component | in stock |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 542.645 |
| logP | 6.5675 |
| H-bond acceptors | 9 |
| H-bond donors | 3 |
| Rotatable bonds | 14 |
| PSA | 153.4 |
| RO5 violations | 2 |
| RO3 violations | 5 |
| Refractivity | 144.0859 |
| Atoms | 72 |
| Rings | 3 |
| Heavy atoms | 38 |
| Hydrogen atoms | 34 |
| Heteroatoms | 10 |
| N/O atoms | 9 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| 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 |
