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UNKNOWN STEREO
MCULE-4208339900
Compound
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- InChI:
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| Name | File |
|---|---|
| SDF | MCULE-4208339900.sdf |
| SMILES | MCULE-4208339900.smiles |
| Standard InChI | MCULE-4208339900.inchi |
| InChIKey | MCULE-4208339900.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-611617238 | Toronto Research | In stock | 90 | As is | in stock |
| P-886914477 | eNovation Chemicals LLC | Building Blocks in stock | 95 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 286.367 |
| logP | 1.4274 |
| H-bond acceptors | 6 |
| H-bond donors | 4 |
| Rotatable bonds | 7 |
| PSA | 112.65 |
| RO5 violations | 0 |
| RO3 violations | 4 |
| Refractivity | 75.9407 |
| Atoms | 46 |
| Rings | 1 |
| Heavy atoms | 20 |
| Hydrogen atoms | 26 |
| Heteroatoms | 6 |
| N/O atoms | 6 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 5 |
| R/S chiral centers | 5 |
| 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 |
