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UNKNOWN STEREO
MCULE-9604358889-1
Structure
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- InChI:
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MCULE-8760449163-0
- Component type: Unknown
| Name | File |
|---|---|
| SDF | MCULE-9604358889-1.sdf |
| SMILES | MCULE-9604358889-1.smiles |
| Standard InChI | MCULE-9604358889-1.inchi |
| InChIKey | MCULE-9604358889-1.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-611520047 | Toronto Research | In stock | 90 | As is | in stock |
| P-505530340 | Hangzhou Apichem | Building Blocks in stock | 95 | As a component | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 323.197 |
| logP | -2.5159 |
| H-bond acceptors | 11 |
| H-bond donors | 6 |
| Rotatable bonds | 4 |
| PSA | 187.9 |
| RO5 violations | 2 |
| RO3 violations | 5 |
| Refractivity | 65.4351 |
| Atoms | 35 |
| Rings | 2 |
| Heavy atoms | 21 |
| Hydrogen atoms | 14 |
| Heteroatoms | 12 |
| N/O atoms | 11 |
| 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 | 1 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 1 |
| Undefined stereo double bonds | 0 |
