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MCULE-3630600241-1
Structure
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- InChIKey:
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- InChI:
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1
MCULE-2466072064-1
- Component type: Main
-
1
MCULE-7728164114-1
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-3630600241-1.sdf |
| SMILES | MCULE-3630600241-1.smiles |
| Standard InChI | MCULE-3630600241-1.inchi |
| InChIKey | MCULE-3630600241-1.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867449266 | N/A | As is | by synthesis |
| P-867448949 | N/A | Main component | by synthesis |
| P-580480486 | 97 | Main component | by synthesis |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 243.601 |
| logP | 3.3993 |
| H-bond acceptors | 2 |
| H-bond donors | 1 |
| Rotatable bonds | 6 |
| PSA | 35.25 |
| RO5 violations | 0 |
| RO3 violations | 2 |
| Refractivity | 42.0444 |
| Atoms | 25 |
| Rings | 0 |
| Heavy atoms | 14 |
| Hydrogen atoms | 11 |
| Heteroatoms | 8 |
| N/O atoms | 2 |
| Inorganic atoms | 0 |
| Halogen atoms | 6 |
| Chiral centers | 0 |
| R/S chiral centers | 0 |
| 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 |
