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MCULE-6313985052
Compound
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- InChIKey:
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- InChI:
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1
MCULE-1504889908
- Component type: Counter Ion
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1
MCULE-5376882383
- Component type: Unknown
-
1
MCULE-2585275789
- Component type: Unknown
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1
MCULE-7565024869
- Component type: Unknown
| Name | File |
|---|---|
| SDF | MCULE-6313985052.sdf |
| SMILES | MCULE-6313985052.smiles |
| Standard InChI | MCULE-6313985052.inchi |
| InChIKey | MCULE-6313985052.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-489230070 | Amadis Chemical Company Limited | Amadis Chemical General Catalog | 97 | As is | in stock |
| Property | Value |
|---|---|
| Components | 4 |
| Mass | 1264.647 |
| logP | -0.3344 |
| H-bond acceptors | 29 |
| H-bond donors | 19 |
| Rotatable bonds | 12 |
| PSA | 551.15 |
| RO5 violations | 3 |
| RO3 violations | 5 |
| Refractivity | 288.1628 |
| Atoms | 167 |
| Rings | 8 |
| Heavy atoms | 82 |
| Hydrogen atoms | 85 |
| Heteroatoms | 33 |
| N/O atoms | 29 |
| Inorganic atoms | 0 |
| Halogen atoms | 3 |
| Chiral centers | 19 |
| R/S chiral centers | 19 |
| 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 |
