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UNKNOWN STEREO
MCULE-9181921933
Compound
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- InChI:
- Formula:
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1
MCULE-6219343612
- Component type: Main
-
1
MCULE-6692975244
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-9181921933.sdf |
| SMILES | MCULE-9181921933.smiles |
| Standard InChI | MCULE-9181921933.inchi |
| InChIKey | MCULE-9181921933.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-611452103 | Toronto Research | In stock | 90 | As is | in stock |
| P-893243098 | Biosynth | In Stock | 95 | Main component as a main component | in stock |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 570.389 |
| logP | 1.6862 |
| H-bond acceptors | 16 |
| H-bond donors | 5 |
| Rotatable bonds | 11 |
| PSA | 287.93 |
| RO5 violations | 2 |
| RO3 violations | 5 |
| Refractivity | 122.8911 |
| Atoms | 63 |
| Rings | 2 |
| Heavy atoms | 34 |
| Hydrogen atoms | 29 |
| Heteroatoms | 20 |
| N/O atoms | 16 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 2 |
| R/S chiral centers | 2 |
| 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 |
