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MCULE-8625147300
Compound
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1
MCULE-7004592319
- Component type: Main
-
1
MCULE-3867000095
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-8625147300.sdf |
| SMILES | MCULE-8625147300.smiles |
| Standard InChI | MCULE-8625147300.inchi |
| InChIKey | MCULE-8625147300.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-596905900 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | Main component | by synthesis |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 538.589 |
| logP | 4.5438 |
| H-bond acceptors | 8 |
| H-bond donors | 4 |
| Rotatable bonds | 9 |
| PSA | 121.54 |
| RO5 violations | 1 |
| RO3 violations | 6 |
| Refractivity | 154.6452 |
| Atoms | 70 |
| Rings | 4 |
| Heavy atoms | 40 |
| Hydrogen atoms | 30 |
| Heteroatoms | 8 |
| N/O atoms | 8 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 2 |
| R/S chiral centers | 0 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 2 |
| Stereo double bonds | 0 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |
