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MCULE-9692744119-0
Structure
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- InChIKey:
- SMILES:
- InChI:
- Formula:
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1
MCULE-7856797808-0
- Component type: Main
-
1
MCULE-5852208511-1
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-9692744119-0.sdf |
| SMILES | MCULE-9692744119-0.smiles |
| Standard InChI | MCULE-9692744119-0.inchi |
| InChIKey | MCULE-9692744119-0.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-500231407 | N/A | As is | in stock |
| P-500230706 | N/A | Main component as a main component | in stock |
| P-500230700 | N/A | Main component as a main component | in stock |
| P-500230709 | N/A | Main component as a main component | in stock |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 485.529 |
| logP | 3.8699 |
| H-bond acceptors | 10 |
| H-bond donors | 6 |
| Rotatable bonds | 8 |
| PSA | 157.22 |
| RO5 violations | 1 |
| RO3 violations | 6 |
| Refractivity | 136.9765 |
| Atoms | 66 |
| Rings | 4 |
| Heavy atoms | 35 |
| Hydrogen atoms | 31 |
| Heteroatoms | 10 |
| N/O atoms | 10 |
| 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 |
