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UNKNOWN STEREO
MCULE-2943593708
Compound
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- InChIKey:
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- InChI:
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1
MCULE-4450793205
- Component type: Main
-
1
MCULE-7728164114
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-2943593708.sdf |
| SMILES | MCULE-2943593708.smiles |
| Standard InChI | MCULE-2943593708.inchi |
| InChIKey | MCULE-2943593708.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-855242371 | Toronto Research | In stock | 90 | Main component | in stock |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 293.829 |
| logP | 4.172 |
| H-bond acceptors | 2 |
| H-bond donors | 1 |
| Rotatable bonds | 1 |
| PSA | 21.26 |
| RO5 violations | 0 |
| RO3 violations | 1 |
| Refractivity | 88.5447 |
| Atoms | 44 |
| Rings | 4 |
| Heavy atoms | 20 |
| Hydrogen atoms | 24 |
| Heteroatoms | 3 |
| N/O atoms | 2 |
| Inorganic atoms | 0 |
| Halogen atoms | 1 |
| Chiral centers | 3 |
| R/S chiral centers | 3 |
| 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 |
