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MCULE-7702335296-0
Structure
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- InChIKey:
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1
MCULE-1336748609-0
- Component type: Counter Ion
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1
MCULE-3663555151-0
- Component type: Unknown
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1
MCULE-2481502954-0
- Component type: Unknown
| Name | File |
|---|---|
| SDF | MCULE-7702335296-0.sdf |
| SMILES | MCULE-7702335296-0.smiles |
| Standard InChI | MCULE-7702335296-0.inchi |
| InChIKey | MCULE-7702335296-0.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-489108371 | Amadis Chemical Company Limited | Amadis Chemical General Catalog | 97 | As is | in stock |
| Property | Value |
|---|---|
| Components | 3 |
| Mass | 416.419 |
| logP | 1.7962 |
| H-bond acceptors | 10 |
| H-bond donors | 6 |
| Rotatable bonds | 9 |
| PSA | 189.66 |
| RO5 violations | 1 |
| RO3 violations | 5 |
| Refractivity | 103.0728 |
| Atoms | 57 |
| Rings | 1 |
| Heavy atoms | 29 |
| Hydrogen atoms | 28 |
| Heteroatoms | 10 |
| N/O atoms | 10 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| 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 |
