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MCULE-5406221113-0
Structure
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- InChIKey:
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- InChI:
- Formula:
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1
MCULE-1568229930-0
- Component type: Counter Ion
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1
MCULE-5059719804-0
- Component type: Unknown
| Name | File |
|---|---|
| SDF | MCULE-5406221113-0.sdf |
| SMILES | MCULE-5406221113-0.smiles |
| Standard InChI | MCULE-5406221113-0.inchi |
| InChIKey | MCULE-5406221113-0.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-489189754 | Amadis Chemical Company Limited | Amadis Chemical General Catalog | 97 | As is | in stock |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 264.276 |
| logP | -0.507 |
| H-bond acceptors | 8 |
| H-bond donors | 6 |
| Rotatable bonds | 3 |
| PSA | 167.1 |
| RO5 violations | 1 |
| RO3 violations | 3 |
| Refractivity | 61.466 |
| Atoms | 38 |
| Rings | 1 |
| Heavy atoms | 18 |
| Hydrogen atoms | 20 |
| Heteroatoms | 8 |
| N/O atoms | 8 |
| 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 | 0 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |
