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MCULE-5456512647-0
Structure
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- InChIKey:
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- InChI:
- Formula:
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1
MCULE-2919817854-0
- Component type: Counter Ion
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1
MCULE-3497712421-0
- Component type: Unknown
| Name | File |
|---|---|
| SDF | MCULE-5456512647-0.sdf |
| SMILES | MCULE-5456512647-0.smiles |
| Standard InChI | MCULE-5456512647-0.inchi |
| InChIKey | MCULE-5456512647-0.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-33972770 | 90 | As is | in stock |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 567.611 |
| logP | 6.4147 |
| H-bond acceptors | 2 |
| H-bond donors | 0 |
| Rotatable bonds | 7 |
| PSA | 13.11 |
| RO5 violations | 2 |
| RO3 violations | 3 |
| Refractivity | 187.732 |
| Atoms | 89 |
| Rings | 6 |
| Heavy atoms | 43 |
| Hydrogen atoms | 46 |
| Heteroatoms | 3 |
| N/O atoms | 2 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 3 |
| R/S chiral centers | 0 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 3 |
| Stereo double bonds | 0 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |
