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MCULE-6521347810
Compound
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- InChIKey:
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- InChI:
- Formula:
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1
MCULE-5275809610
- Component type: Main
-
1
MCULE-7728164114
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-6521347810.sdf |
| SMILES | MCULE-6521347810.smiles |
| Standard InChI | MCULE-6521347810.inchi |
| InChIKey | MCULE-6521347810.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-895314765 | 95 | As is | by synthesis |
| P-892269080 | 95 | Main component | unavailable |
| P-892347798 | 95 | Main component | unavailable |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 324.825 |
| logP | 3.1418 |
| H-bond acceptors | 6 |
| H-bond donors | 4 |
| Rotatable bonds | 6 |
| PSA | 107.04 |
| RO5 violations | 0 |
| RO3 violations | 6 |
| Refractivity | 81.8572 |
| Atoms | 41 |
| Rings | 1 |
| Heavy atoms | 20 |
| Hydrogen atoms | 21 |
| Heteroatoms | 8 |
| N/O atoms | 6 |
| Inorganic atoms | 0 |
| Halogen atoms | 1 |
| Chiral centers | 1 |
| R/S chiral centers | 0 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 1 |
| Stereo double bonds | 0 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |
