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MCULE-7322300140-5
Structure
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MCULE-8519207607-1
- Component type: Main
| Name | File |
|---|---|
| SDF | MCULE-7322300140-5.sdf |
| SMILES | MCULE-7322300140-5.smiles |
| Standard InChI | MCULE-7322300140-5.inchi |
| InChIKey | MCULE-7322300140-5.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-885548170 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | As a main component | by synthesis |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 741.389 |
| logP | -0.3028 |
| H-bond acceptors | 23 |
| H-bond donors | 6 |
| Rotatable bonds | 13 |
| PSA | 402.71 |
| RO5 violations | 3 |
| RO3 violations | 5 |
| Refractivity | 147.2675 |
| Atoms | 74 |
| Rings | 5 |
| Heavy atoms | 48 |
| Hydrogen atoms | 26 |
| Heteroatoms | 27 |
| N/O atoms | 24 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| 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 |
