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MCULE-7102505139-1
Structure
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MCULE-1678400532-0
- Component type: Main
| Name | File |
|---|---|
| SDF | MCULE-7102505139-1.sdf |
| SMILES | MCULE-7102505139-1.smiles |
| Standard InChI | MCULE-7102505139-1.inchi |
| InChIKey | MCULE-7102505139-1.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-890852120 | 90 | As a main component | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 471.432 |
| logP | 2.4509 |
| H-bond acceptors | 8 |
| H-bond donors | 3 |
| Rotatable bonds | 4 |
| PSA | 154.0 |
| RO5 violations | 0 |
| RO3 violations | 4 |
| Refractivity | 111.3344 |
| Atoms | 61 |
| Rings | 4 |
| Heavy atoms | 32 |
| Hydrogen atoms | 29 |
| Heteroatoms | 10 |
| N/O atoms | 8 |
| Inorganic atoms | 0 |
| Halogen atoms | 1 |
| Chiral centers | 8 |
| R/S chiral centers | 0 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 8 |
| Stereo double bonds | 0 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |
