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MCULE-3949698834
Compound
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- InChIKey:
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- InChI:
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1
MCULE-2238180427
- Component type: Main
-
1
MCULE-3867000095
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-3949698834.sdf |
| SMILES | MCULE-3949698834.smiles |
| Standard InChI | MCULE-3949698834.inchi |
| InChIKey | MCULE-3949698834.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-500242089 | N/A | As is | in stock |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 473.475 |
| logP | 1.6686 |
| H-bond acceptors | 11 |
| H-bond donors | 6 |
| Rotatable bonds | 7 |
| PSA | 168.66 |
| RO5 violations | 2 |
| RO3 violations | 5 |
| Refractivity | 128.4596 |
| Atoms | 61 |
| Rings | 4 |
| Heavy atoms | 34 |
| Hydrogen atoms | 27 |
| Heteroatoms | 11 |
| N/O atoms | 11 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 4 |
| R/S chiral centers | 1 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 3 |
| Stereo double bonds | 0 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |
