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MCULE-6459603853-3
Structure
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- InChIKey:
- SMILES:
- InChI:
- Formula:
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1
MCULE-6489171241-3
- Component type: Main
-
1
MCULE-1504889908-1
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-6459603853-3.sdf |
| SMILES | MCULE-6459603853-3.smiles |
| Standard InChI | MCULE-6459603853-3.inchi |
| InChIKey | MCULE-6459603853-3.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-854985535 | Toronto Research | In stock | 90 | As is | in stock |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 239.213 |
| logP | 0.037 |
| H-bond acceptors | 10 |
| H-bond donors | 7 |
| Rotatable bonds | 0 |
| PSA | 207.52 |
| RO5 violations | 1 |
| RO3 violations | 3 |
| Refractivity | 50.9695 |
| Atoms | 24 |
| Rings | 1 |
| Heavy atoms | 15 |
| Hydrogen atoms | 9 |
| Heteroatoms | 11 |
| N/O atoms | 10 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 0 |
| R/S chiral centers | 0 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 0 |
| Stereo double bonds | 1 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 1 |
| Undefined stereo double bonds | 0 |
