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MCULE-2549507113-0
Structure
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- InChIKey:
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- InChI:
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1
MCULE-3496128683-0
- Component type: Unknown
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1
MCULE-6900965240-0
- Component type: Unknown
| Name | File |
|---|---|
| SDF | MCULE-2549507113-0.sdf |
| SMILES | MCULE-2549507113-0.smiles |
| Standard InChI | MCULE-2549507113-0.inchi |
| InChIKey | MCULE-2549507113-0.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-489128802 | Amadis Chemical Company Limited | Amadis Chemical General Catalog | 97 | As is | in stock |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 504.958 |
| logP | 7.2332 |
| H-bond acceptors | 7 |
| H-bond donors | 3 |
| Rotatable bonds | 8 |
| PSA | 104.73 |
| RO5 violations | 2 |
| RO3 violations | 5 |
| Refractivity | 141.9742 |
| Atoms | 61 |
| Rings | 4 |
| Heavy atoms | 36 |
| Hydrogen atoms | 25 |
| Heteroatoms | 8 |
| N/O atoms | 7 |
| Inorganic atoms | 0 |
| Halogen atoms | 1 |
| Chiral centers | 0 |
| R/S chiral centers | 0 |
| 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 |
