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MCULE-7177126812-2
Structure
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MCULE-3576670015-2
- Component type: Main
| Name | File |
|---|---|
| SDF | MCULE-7177126812-2.sdf |
| SMILES | MCULE-7177126812-2.smiles |
| Standard InChI | MCULE-7177126812-2.inchi |
| InChIKey | MCULE-7177126812-2.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-889876510 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | As a main component | by synthesis |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 508.791 |
| logP | 7.0006 |
| H-bond acceptors | 10 |
| H-bond donors | 6 |
| Rotatable bonds | 23 |
| PSA | 177.58 |
| RO5 violations | 3 |
| RO3 violations | 6 |
| Refractivity | 158.269 |
| Atoms | 92 |
| Rings | 0 |
| Heavy atoms | 36 |
| Hydrogen atoms | 56 |
| Heteroatoms | 10 |
| N/O atoms | 10 |
| 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 | 4 |
| Cis/trans stereo double bonds | 4 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |
