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MCULE-9924961830
Compound
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- InChIKey:
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- InChI:
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MCULE-3348298048
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-9924961830.sdf |
| SMILES | MCULE-9924961830.smiles |
| Standard InChI | MCULE-9924961830.inchi |
| InChIKey | MCULE-9924961830.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability | Updated |
|---|---|---|---|---|---|---|
| P-580512168 | Manchester Organics | Stock compounds | 98 | As is | in stock | May 2 |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 134.087 |
| logP | -1.0934 |
| H-bond acceptors | 5 |
| H-bond donors | 3 |
| Rotatable bonds | 3 |
| PSA | 94.83 |
| RO5 violations | 0 |
| RO3 violations | 2 |
| Refractivity | 26.0474 |
| Atoms | 15 |
| Rings | 0 |
| Heavy atoms | 9 |
| Hydrogen atoms | 6 |
| Heteroatoms | 5 |
| N/O atoms | 5 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 1 |
| R/S chiral centers | 0 |
| Unknown chiral centers | 1 |
| Undefined chiral centers | 0 |
| Stereo double bonds | 0 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |
