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MCULE-2029311454
Compound
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- InChIKey:
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- InChI:
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1
MCULE-5404022059
- Component type: Main
-
1
MCULE-7728164114
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-2029311454.sdf |
| SMILES | MCULE-2029311454.smiles |
| Standard InChI | MCULE-2029311454.inchi |
| InChIKey | MCULE-2029311454.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-870651481 | N/A | As is | in stock |
| P-505496946 | 95 | As is | in stock |
| P-505496952 | 95 | As is | in stock |
| P-505496958 | 95 | As is | in stock |
| P-895535192 | 95 | As is | by synthesis |
| P-489176621 | 97 | Main component | in stock |
| P-870651480 | N/A | Main component | in stock |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 229.657 |
| logP | -1.0986 |
| H-bond acceptors | 6 |
| H-bond donors | 4 |
| Rotatable bonds | 2 |
| PSA | 105.17 |
| RO5 violations | 0 |
| RO3 violations | 3 |
| Refractivity | 48.9768 |
| Atoms | 30 |
| Rings | 1 |
| Heavy atoms | 14 |
| Hydrogen atoms | 16 |
| Heteroatoms | 7 |
| N/O atoms | 6 |
| Inorganic atoms | 0 |
| Halogen atoms | 1 |
| Chiral centers | 5 |
| R/S chiral centers | 0 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 5 |
| Stereo double bonds | 0 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |
