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UNKNOWN STEREO
MCULE-3780595932
Compound
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1
MCULE-8001590407
- Component type: Main
-
1
MCULE-3833394421
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-3780595932.sdf |
| SMILES | MCULE-3780595932.smiles |
| Standard InChI | MCULE-3780595932.inchi |
| InChIKey | MCULE-3780595932.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-505494479 | Hangzhou Apichem | Building Blocks in stock | 95 | As is | in stock |
| P-855288442 | Toronto Research | In stock | 90 | Main component | in stock |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 477.452 |
| logP | -1.0472 |
| H-bond acceptors | 12 |
| H-bond donors | 2 |
| Rotatable bonds | 9 |
| PSA | 229.88 |
| RO5 violations | 1 |
| RO3 violations | 4 |
| Refractivity | 107.9546 |
| Atoms | 47 |
| Rings | 3 |
| Heavy atoms | 31 |
| Hydrogen atoms | 16 |
| Heteroatoms | 15 |
| N/O atoms | 12 |
| Inorganic atoms | 1 |
| Halogen atoms | 0 |
| Chiral centers | 2 |
| R/S chiral centers | 2 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 0 |
| Stereo double bonds | 1 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 1 |
| Undefined stereo double bonds | 0 |
