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MCULE-9164996727-0
Structure
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- InChIKey:
- SMILES:
- InChI:
- Formula:
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1
MCULE-6489381238-0
- Component type: Main
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3
MCULE-8798436210-0
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-9164996727-0.sdf |
| SMILES | MCULE-9164996727-0.smiles |
| Standard InChI | MCULE-9164996727-0.inchi |
| InChIKey | MCULE-9164996727-0.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-896055836 | AstaTech | Backordered BBs | 95 | As is | by synthesis |
| Property | Value |
|---|---|
| Components | 4 |
| Mass | 1087.170 |
| logP | 6.1796 |
| H-bond acceptors | 14 |
| H-bond donors | 0 |
| Rotatable bonds | 11 |
| PSA | 186.16 |
| RO5 violations | 3 |
| RO3 violations | 5 |
| Refractivity | 301.2077 |
| Atoms | 156 |
| Rings | 6 |
| Heavy atoms | 75 |
| Hydrogen atoms | 81 |
| Heteroatoms | 19 |
| N/O atoms | 17 |
| Inorganic atoms | 0 |
| Halogen atoms | 2 |
| 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 |
