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MCULE-4718455730-1
Structure
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MCULE-5784206144-0
- Component type: Main
| Name | File |
|---|---|
| SDF | MCULE-4718455730-1.sdf |
| SMILES | MCULE-4718455730-1.smiles |
| Standard InChI | MCULE-4718455730-1.inchi |
| InChIKey | MCULE-4718455730-1.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-870650068 | Glentham Life Sciences | Compounds typically in stock | N/A | As a main component | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 314.224 |
| logP | -1.9457 |
| H-bond acceptors | 10 |
| H-bond donors | 3 |
| Rotatable bonds | 4 |
| PSA | 165.1 |
| RO5 violations | 0 |
| RO3 violations | 4 |
| Refractivity | 68.0769 |
| Atoms | 34 |
| Rings | 2 |
| Heavy atoms | 22 |
| Hydrogen atoms | 12 |
| Heteroatoms | 10 |
| N/O atoms | 10 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 5 |
| R/S chiral centers | 0 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 5 |
| Stereo double bonds | 0 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |
