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MCULE-1454511950-0
Structure
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MCULE-4110169811-0
- Component type: Unknown
| Name | File |
|---|---|
| SDF | MCULE-1454511950-0.sdf |
| SMILES | MCULE-1454511950-0.smiles |
| Standard InChI | MCULE-1454511950-0.inchi |
| InChIKey | MCULE-1454511950-0.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-852196702 | A2B Chem | Predominantly Building Block on demand | N/A | As a component | by synthesis |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 738.708 |
| logP | 9.545 |
| H-bond acceptors | 18 |
| H-bond donors | 6 |
| Rotatable bonds | 8 |
| PSA | 340.9 |
| RO5 violations | 4 |
| RO3 violations | 6 |
| Refractivity | 166.1712 |
| Atoms | 66 |
| Rings | 5 |
| Heavy atoms | 48 |
| Hydrogen atoms | 18 |
| Heteroatoms | 22 |
| N/O atoms | 18 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 0 |
| R/S chiral centers | 0 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 0 |
| Stereo double bonds | 2 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 2 |
| Undefined stereo double bonds | 0 |
