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MCULE-2064386047
Compound
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- InChI:
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1
MCULE-7033439425
- Component type: Main
-
1
MCULE-7654331405
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-2064386047.sdf |
| SMILES | MCULE-2064386047.smiles |
| Standard InChI | MCULE-2064386047.inchi |
| InChIKey | MCULE-2064386047.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-861316205 | BLD pharm | In-stock building blocks | 98 | As is | unavailable |
| P-893410821 | Advanced ChemBlocks Inc (AChemBlock) | On demand | 90 | Main component | by synthesis |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 673.865 |
| logP | 8.0092 |
| H-bond acceptors | 12 |
| H-bond donors | 6 |
| Rotatable bonds | 14 |
| PSA | 201.31 |
| RO5 violations | 4 |
| RO3 violations | 6 |
| Refractivity | 183.364 |
| Atoms | 98 |
| Rings | 4 |
| Heavy atoms | 47 |
| Hydrogen atoms | 51 |
| Heteroatoms | 13 |
| N/O atoms | 12 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 1 |
| R/S chiral centers | 1 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 0 |
| Stereo double bonds | 1 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 1 |
