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MCULE-6653569419
Compound
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1
MCULE-6900611663
- Component type: Main
-
1
MCULE-5852208511
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-6653569419.sdf |
| SMILES | MCULE-6653569419.smiles |
| Standard InChI | MCULE-6653569419.inchi |
| InChIKey | MCULE-6653569419.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-855297423 | Toronto Research | In stock | 90 | As is | in stock |
| P-611470063 | Toronto Research | In stock | 90 | Main component | in stock |
| P-611470094 | Toronto Research | In stock | 90 | Main component | in stock |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 669.833 |
| logP | 4.2991 |
| H-bond acceptors | 12 |
| H-bond donors | 5 |
| Rotatable bonds | 14 |
| PSA | 178.65 |
| RO5 violations | 2 |
| RO3 violations | 6 |
| Refractivity | 188.0768 |
| Atoms | 94 |
| Rings | 5 |
| Heavy atoms | 47 |
| Hydrogen atoms | 47 |
| Heteroatoms | 13 |
| N/O atoms | 12 |
| 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 |
