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MCULE-3100549027
Compound
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- InChIKey:
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- InChI:
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1
MCULE-6399134901
- Component type: Main
-
1
MCULE-3867000095
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-3100549027.sdf |
| SMILES | MCULE-3100549027.smiles |
| Standard InChI | MCULE-3100549027.inchi |
| InChIKey | MCULE-3100549027.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-675213164 | 95 | As is | in stock |
| P-611392522 | 90 | Main component | in stock |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 477.546 |
| logP | 1.1809 |
| H-bond acceptors | 9 |
| H-bond donors | 6 |
| Rotatable bonds | 5 |
| PSA | 158.76 |
| RO5 violations | 1 |
| RO3 violations | 5 |
| Refractivity | 127.535 |
| Atoms | 69 |
| Rings | 5 |
| Heavy atoms | 34 |
| Hydrogen atoms | 35 |
| Heteroatoms | 9 |
| N/O atoms | 9 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| 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 |
