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UNKNOWN STEREO
MCULE-8908324854-0
Structure
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- InChIKey:
- SMILES:
- InChI:
- Formula:
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1
MCULE-7782530856-1
- Component type: Main
-
1
MCULE-3504782871-0
- Component type: Counter Ion
-
1
MCULE-6124492894-1
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-8908324854-0.sdf |
| SMILES | MCULE-8908324854-0.smiles |
| Standard InChI | MCULE-8908324854-0.inchi |
| InChIKey | MCULE-8908324854-0.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-611350328 | Toronto Research | In stock | 90 | As is | in stock |
| P-855352425 | Toronto Research | In stock | 90 | Main component as a main component | in stock |
| Property | Value |
|---|---|
| Components | 3 |
| Mass | 250.330 |
| logP | -1.7479 |
| H-bond acceptors | 5 |
| H-bond donors | 1 |
| Rotatable bonds | 4 |
| PSA | 106.28 |
| RO5 violations | 0 |
| RO3 violations | 3 |
| Refractivity | 38.5544 |
| Atoms | 20 |
| Rings | 0 |
| Heavy atoms | 12 |
| Hydrogen atoms | 8 |
| Heteroatoms | 7 |
| N/O atoms | 5 |
| Inorganic atoms | 1 |
| Halogen atoms | 1 |
| Chiral centers | 1 |
| R/S chiral centers | 1 |
| 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 |
