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MCULE-8645161809-1
Structure
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- InChIKey:
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- InChI:
- Formula:
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1
MCULE-9048109449-1
- Component type: Main
-
1
MCULE-1246638159-0
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-8645161809-1.sdf |
| SMILES | MCULE-8645161809-1.smiles |
| Standard InChI | MCULE-8645161809-1.inchi |
| InChIKey | MCULE-8645161809-1.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-615398025 | eNovation Chemicals LLC | Building Blocks in stock | 95 | As is | in stock |
| P-489171729 | Amadis Chemical Company Limited | Amadis Chemical General Catalog | 97 | Main component as a main component | in stock |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 230.129 |
| logP | -0.0934 |
| H-bond acceptors | 3 |
| H-bond donors | 1 |
| Rotatable bonds | 3 |
| PSA | 56.74 |
| RO5 violations | 0 |
| RO3 violations | 0 |
| Refractivity | 56.1649 |
| Atoms | 30 |
| Rings | 0 |
| Heavy atoms | 13 |
| Hydrogen atoms | 17 |
| Heteroatoms | 5 |
| N/O atoms | 3 |
| 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 | 0 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |
