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MCULE-7690964052-1
Structure
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- InChIKey:
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- InChI:
- Formula:
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1
MCULE-1178830319-0
- Component type: Main
-
1
MCULE-8295936189-1
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-7690964052-1.sdf |
| SMILES | MCULE-7690964052-1.smiles |
| Standard InChI | MCULE-7690964052-1.inchi |
| InChIKey | MCULE-7690964052-1.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-870652456 | N/A | Main component | in stock |
| P-611495622 | 90 | Main component | in stock |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 892.019 |
| logP | 1.7193 |
| H-bond acceptors | 22 |
| H-bond donors | 12 |
| Rotatable bonds | 11 |
| PSA | 411.79 |
| RO5 violations | 3 |
| RO3 violations | 5 |
| Refractivity | 248.074 |
| Atoms | 114 |
| Rings | 4 |
| Heavy atoms | 61 |
| Hydrogen atoms | 53 |
| Heteroatoms | 24 |
| N/O atoms | 22 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 5 |
| R/S chiral centers | 0 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 5 |
| Stereo double bonds | 1 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 1 |
| Undefined stereo double bonds | 0 |
