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MCULE-9599247271
Compound
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- InChIKey:
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- InChI:
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1
MCULE-5726619687
- Component type: Counter Ion
-
1
MCULE-8617385034
- Component type: Unknown
-
1
MCULE-5930378829
- Component type: Unknown
| Name | File |
|---|---|
| SDF | MCULE-9599247271.sdf |
| SMILES | MCULE-9599247271.smiles |
| Standard InChI | MCULE-9599247271.inchi |
| InChIKey | MCULE-9599247271.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-489134608 | Amadis Chemical Company Limited | Amadis Chemical General Catalog | 97 | As is | in stock |
| Property | Value |
|---|---|
| Components | 3 |
| Mass | 664.934 |
| logP | 11.7351 |
| H-bond acceptors | 6 |
| H-bond donors | 5 |
| Rotatable bonds | 24 |
| PSA | 128.03 |
| RO5 violations | 2 |
| RO3 violations | 6 |
| Refractivity | 201.4589 |
| Atoms | 115 |
| Rings | 2 |
| Heavy atoms | 46 |
| Hydrogen atoms | 69 |
| Heteroatoms | 7 |
| N/O atoms | 6 |
| 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 |
