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MCULE-6748951131
Compound
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- InChIKey:
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- InChI:
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1
MCULE-5238919080
- Component type: Main
-
2
MCULE-6124492894
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-6748951131.sdf |
| SMILES | MCULE-6748951131.smiles |
| Standard InChI | MCULE-6748951131.inchi |
| InChIKey | MCULE-6748951131.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-33413978 | 90 | As is | in stock |
| Property | Value |
|---|---|
| Components | 3 |
| Mass | 410.241 |
| logP | 5.7065 |
| H-bond acceptors | 4 |
| H-bond donors | 4 |
| Rotatable bonds | 10 |
| PSA | 150.34 |
| RO5 violations | 1 |
| RO3 violations | 6 |
| Refractivity | 93.2332 |
| Atoms | 39 |
| Rings | 0 |
| Heavy atoms | 17 |
| Hydrogen atoms | 22 |
| Heteroatoms | 8 |
| N/O atoms | 4 |
| Inorganic atoms | 0 |
| Halogen atoms | 2 |
| Chiral centers | 0 |
| R/S chiral centers | 0 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 0 |
| Stereo double bonds | 2 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 2 |
