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MCULE-5619910001
Compound
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- InChIKey:
- SMILES:
- InChI:
- Formula:
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1
MCULE-7244738781
- Component type: Main
-
1
MCULE-6124492894
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-5619910001.sdf |
| SMILES | MCULE-5619910001.smiles |
| Standard InChI | MCULE-5619910001.inchi |
| InChIKey | MCULE-5619910001.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-895715124 | MedChemExpress | Building Blocks on demand | 95 | As is | by synthesis |
| P-852509553 | Matrix Scientific | All | N/A | Main component as a main component | in stock |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 380.320 |
| logP | 2.0513 |
| H-bond acceptors | 0 |
| H-bond donors | 0 |
| Rotatable bonds | 2 |
| PSA | 3.01 |
| RO5 violations | 0 |
| RO3 violations | 1 |
| Refractivity | 112.917 |
| Atoms | 46 |
| Rings | 4 |
| Heavy atoms | 24 |
| Hydrogen atoms | 22 |
| Heteroatoms | 2 |
| N/O atoms | 1 |
| 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 |
