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MCULE-7826276250-1
Structure
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MCULE-3772514521-0
- Component type: Main
| Name | File |
|---|---|
| SDF | MCULE-7826276250-1.sdf |
| SMILES | MCULE-7826276250-1.smiles |
| Standard InChI | MCULE-7826276250-1.inchi |
| InChIKey | MCULE-7826276250-1.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-596707108 | TimTec | ActiMol 1 Week - Stock | 90 | As a main component | 1000 mg |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 696.759 |
| 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 | 96 |
| Rings | 4 |
| Heavy atoms | 50 |
| Hydrogen atoms | 46 |
| Heteroatoms | 13 |
| N/O atoms | 13 |
| Inorganic atoms | 0 |
| 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 |
