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MCULE-1858636187-1
Structure
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- InChIKey:
- SMILES:
- InChI:
- Formula:
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MCULE-3006844550-0
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MCULE-9408571536-0
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MCULE-1361640273-0
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- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-1858636187-1.sdf |
| SMILES | MCULE-1858636187-1.smiles |
| Standard InChI | MCULE-1858636187-1.inchi |
| InChIKey | MCULE-1858636187-1.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-871238931 | Manchester Organics | Compounds on demand | N/A | As is | by synthesis |
| P-855107345 | Toronto Research | In stock | 90 | As is | in stock |
| P-855298981 | Toronto Research | In stock | 90 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 100.457 |
| logP | 0.1563 |
| H-bond acceptors | 4 |
| H-bond donors | 1 |
| Rotatable bonds | 0 |
| PSA | 71.44 |
| RO5 violations | 0 |
| RO3 violations | 2 |
| Refractivity | 9.8483 |
| Atoms | 6 |
| Rings | 0 |
| Heavy atoms | 5 |
| Hydrogen atoms | 1 |
| Heteroatoms | 5 |
| N/O atoms | 4 |
| 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 |
