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UNKNOWN STEREO
MCULE-6640859752
Compound
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- InChIKey:
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- InChI:
- Formula:
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1
MCULE-9554259300
- Component type: Main
-
1
MCULE-3833394421
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-6640859752.sdf |
| SMILES | MCULE-6640859752.smiles |
| Standard InChI | MCULE-6640859752.inchi |
| InChIKey | MCULE-6640859752.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-505494475 | Hangzhou Apichem | Building Blocks in stock | 95 | As is | in stock |
| P-675211460 | Hangzhou Apichem | Building Blocks in stock | 95 | Main component | in stock |
| P-855050769 | Toronto Research | In stock | 90 | Main component | in stock |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 667.654 |
| logP | -1.8512 |
| H-bond acceptors | 17 |
| H-bond donors | 3 |
| Rotatable bonds | 12 |
| PSA | 273.69 |
| RO5 violations | 2 |
| RO3 violations | 4 |
| Refractivity | 162.2519 |
| Atoms | 71 |
| Rings | 5 |
| Heavy atoms | 45 |
| Hydrogen atoms | 26 |
| Heteroatoms | 20 |
| N/O atoms | 17 |
| Inorganic atoms | 1 |
| Halogen atoms | 0 |
| 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 |
