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MCULE-7605914285-2
Structure
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- InChIKey:
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- InChI:
- Formula:
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1
MCULE-8512828218-3
- Component type: Main
-
2
MCULE-7728164114-1
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-7605914285-2.sdf |
| SMILES | MCULE-7605914285-2.smiles |
| Standard InChI | MCULE-7605914285-2.inchi |
| InChIKey | MCULE-7605914285-2.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-868505101 | eNovation Chemicals LLC | Building Blocks in stock | 98 | As is | in stock |
| Property | Value |
|---|---|
| Components | 3 |
| Mass | 413.338 |
| logP | 6.0869 |
| H-bond acceptors | 6 |
| H-bond donors | 4 |
| Rotatable bonds | 10 |
| PSA | 118.2 |
| RO5 violations | 1 |
| RO3 violations | 6 |
| Refractivity | 114.6332 |
| Atoms | 53 |
| Rings | 2 |
| Heavy atoms | 27 |
| Hydrogen atoms | 26 |
| Heteroatoms | 8 |
| N/O atoms | 6 |
| 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 | 2 |
| Cis/trans stereo double bonds | 2 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |
