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MCULE-5919012916
Compound
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- InChIKey:
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- InChI:
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1
MCULE-6647815245
- Component type: Counter Ion
-
1
MCULE-6772338754
- Component type: Unknown
| Name | File |
|---|---|
| SDF | MCULE-5919012916.sdf |
| SMILES | MCULE-5919012916.smiles |
| Standard InChI | MCULE-5919012916.inchi |
| InChIKey | MCULE-5919012916.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-886924366 | eNovation Chemicals LLC | Building Block on demand | 95 | As is | by synthesis |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 177.198 |
| logP | 0.8471 |
| H-bond acceptors | 5 |
| H-bond donors | 3 |
| Rotatable bonds | 2 |
| PSA | 100.62 |
| RO5 violations | 0 |
| RO3 violations | 2 |
| Refractivity | 43.868 |
| Atoms | 27 |
| Rings | 0 |
| Heavy atoms | 12 |
| Hydrogen atoms | 15 |
| Heteroatoms | 5 |
| 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 |
