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MCULE-9467543773-0
Structure
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- InChIKey:
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- InChI:
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1
MCULE-4467353796-0
- Component type: Counter Ion
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1
MCULE-7728164114-1
- Component type: Counter Ion
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1
MCULE-9308243524-0
- Component type: Unknown
| Name | File |
|---|---|
| SDF | MCULE-9467543773-0.sdf |
| SMILES | MCULE-9467543773-0.smiles |
| Standard InChI | MCULE-9467543773-0.inchi |
| InChIKey | MCULE-9467543773-0.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-580281129 | Debye Scientific | General Catalog | 95 | As is | by resynthesis (? - ? days) |
| Property | Value |
|---|---|
| Components | 3 |
| Mass | 287.698 |
| logP | -1.0222 |
| H-bond acceptors | 7 |
| H-bond donors | 2 |
| Rotatable bonds | 2 |
| PSA | 120.14 |
| RO5 violations | 0 |
| RO3 violations | 2 |
| Refractivity | 71.6298 |
| Atoms | 33 |
| Rings | 2 |
| Heavy atoms | 19 |
| Hydrogen atoms | 14 |
| 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 |
