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MCULE-3772514521
Compound
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1
MCULE-7826276250
- Component type: Main
-
1
MCULE-3833394421
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-3772514521.sdf |
| SMILES | MCULE-3772514521.smiles |
| Standard InChI | MCULE-3772514521.inchi |
| InChIKey | MCULE-3772514521.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-596707108 | TimTec | ActiMol 1 Week - Stock | 90 | As is | 1000 mg |
| P-889868600 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | Main component | by synthesis |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 719.748 |
| logP | 5.3303 |
| H-bond acceptors | 13 |
| H-bond donors | 5 |
| Rotatable bonds | 3 |
| PSA | 204.14 |
| RO5 violations | 3 |
| RO3 violations | 5 |
| Refractivity | 188.1403 |
| Atoms | 97 |
| Rings | 4 |
| Heavy atoms | 51 |
| Hydrogen atoms | 46 |
| Heteroatoms | 14 |
| N/O atoms | 13 |
| Inorganic atoms | 1 |
| Halogen atoms | 0 |
| Chiral centers | 9 |
| R/S chiral centers | 0 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 9 |
| Stereo double bonds | 3 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 3 |
| Undefined stereo double bonds | 0 |
