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MCULE-1651879421-6
Structure
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MCULE-2606016535-1
- Component type: Main
| Name | File |
|---|---|
| SDF | MCULE-1651879421-6.sdf |
| SMILES | MCULE-1651879421-6.smiles |
| Standard InChI | MCULE-1651879421-6.inchi |
| InChIKey | MCULE-1651879421-6.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-854914186 | MedChemExpress | Building Blocks on demand | 95 | As a main component | by synthesis |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 346.190 |
| logP | -1.2755 |
| H-bond acceptors | 12 |
| H-bond donors | 3 |
| Rotatable bonds | 4 |
| PSA | 195.49 |
| RO5 violations | 1 |
| RO3 violations | 4 |
| Refractivity | 68.9408 |
| Atoms | 34 |
| Rings | 3 |
| Heavy atoms | 23 |
| Hydrogen atoms | 11 |
| Heteroatoms | 13 |
| N/O atoms | 12 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 4 |
| R/S chiral centers | 4 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 0 |
| Stereo double bonds | 0 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |
