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MCULE-7178755541
Compound
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- InChI:
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1
MCULE-5690569054
- Component type: Main
-
1
MCULE-7981253226
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-7178755541.sdf |
| SMILES | MCULE-7178755541.smiles |
| Standard InChI | MCULE-7178755541.inchi |
| InChIKey | MCULE-7178755541.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-888170177 | Molnova | On demand | 98 | As is | by synthesis |
| P-855983386 | Key Organics | Building Blocks | 97 | Main component | unavailable |
| P-885550621 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | Main component | by synthesis |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 511.391 |
| logP | -6.3036 |
| H-bond acceptors | 18 |
| H-bond donors | 12 |
| Rotatable bonds | 6 |
| PSA | 322.38 |
| RO5 violations | 3 |
| RO3 violations | 5 |
| Refractivity | 109.6961 |
| Atoms | 60 |
| Rings | 4 |
| Heavy atoms | 35 |
| Hydrogen atoms | 25 |
| Heteroatoms | 18 |
| N/O atoms | 18 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 9 |
| R/S chiral centers | 0 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 9 |
| Stereo double bonds | 0 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |
