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MCULE-3021131472
Compound
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- InChIKey:
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- InChI:
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1
MCULE-5204996691
- Component type: Main
-
1
MCULE-1176533515
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-3021131472.sdf |
| SMILES | MCULE-3021131472.smiles |
| Standard InChI | MCULE-3021131472.inchi |
| InChIKey | MCULE-3021131472.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-666899394 | ChemBridge | EXPRESS-Pick Collection | 90 | As is | in stock |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 698.870 |
| logP | 11.076 |
| H-bond acceptors | 5 |
| H-bond donors | 0 |
| Rotatable bonds | 6 |
| PSA | 73.52 |
| RO5 violations | 2 |
| RO3 violations | 5 |
| Refractivity | 217.8204 |
| Atoms | 90 |
| Rings | 8 |
| Heavy atoms | 52 |
| Hydrogen atoms | 38 |
| Heteroatoms | 6 |
| N/O atoms | 5 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| 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 |
