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UNKNOWN STEREO
MCULE-6568133681
Compound
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- InChIKey:
- SMILES:
- InChI:
- Formula:
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MCULE-7381513027
- Component type: Main
| Name | File |
|---|---|
| SDF | MCULE-6568133681.sdf |
| SMILES | MCULE-6568133681.smiles |
| Standard InChI | MCULE-6568133681.inchi |
| InChIKey | MCULE-6568133681.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-505540412 | Hangzhou Apichem | Building Blocks in stock | 95 | As is | in stock |
| P-611452606 | Toronto Research | In stock | 90 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 324.447 |
| logP | 3.8648 |
| H-bond acceptors | 6 |
| H-bond donors | 2 |
| Rotatable bonds | 3 |
| PSA | 151.33 |
| RO5 violations | 0 |
| RO3 violations | 4 |
| Refractivity | 73.2891 |
| Atoms | 35 |
| Rings | 2 |
| Heavy atoms | 19 |
| Hydrogen atoms | 16 |
| Heteroatoms | 9 |
| N/O atoms | 6 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 2 |
| R/S chiral centers | 2 |
| 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 |
