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UNKNOWN STEREO
MCULE-9436839633
Compound
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- InChIKey:
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- InChI:
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1
MCULE-7551218395
- Component type: Main
-
1
MCULE-5396813937
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-9436839633.sdf |
| SMILES | MCULE-9436839633.smiles |
| Standard InChI | MCULE-9436839633.inchi |
| InChIKey | MCULE-9436839633.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-611516467 | Toronto Research | In stock | 90 | As is | in stock |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 497.518 |
| logP | -1.679 |
| H-bond acceptors | 13 |
| H-bond donors | 5 |
| Rotatable bonds | 10 |
| PSA | 208.43 |
| RO5 violations | 1 |
| RO3 violations | 5 |
| Refractivity | 122.0477 |
| Atoms | 57 |
| Rings | 3 |
| Heavy atoms | 34 |
| Hydrogen atoms | 23 |
| Heteroatoms | 14 |
| N/O atoms | 13 |
| Inorganic atoms | 1 |
| 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 |
